SCHEMBL2472869

SCHEMBL2472869

CC1(C)c2cc(Br)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
GSTP1 P09211 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PDK2 Q15119 1/20 0.39
ALOX5 P09917 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PTGER3 P43115 2/20 0.36
CYP1A2 P05177 3/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL429070 1.00 CYP2A6 (0.48) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL429952 1.00 CYP2A6 (0.48) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL367400 0.98 CYP2A6 (0.47) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL19152839 0.93 CYP2A6 (0.44) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL20938291 0.92 CYP11B1 (0.42) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL25770839 0.90 CYP2A6 (0.42) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL322802 0.89 CYP2A6 (0.43) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL431640 0.89 CYP2A6 (0.43) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL2472423 0.88 CYP2A6 (0.42) CYP2A6LPLLIPGCYP11B1CYP11B2
SCHEMBL15731073 0.87 PGR (0.34) CYP2A6LPLLIPGCYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator MITSUBISHI CHEMICAL CORPORATION (JP) 2023-01-05 US disclosed
US-11469378-B2 Electroluminescent compound and electroluminescent device including the same LG DISPLAY CO., LTD. (KR) 2022-10-11 US disclosed
WO-2021161974-A1 IRIDIUM COMPLEX COMPOUND, IRIDIUM COMPLEX COMPOUND-CONTAINING COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND PRODUCTION METHOD THEREFOR, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING DEVICE 三菱ケミカル株式会社 2021-08-19 WO disclosed
WO-2021161974-A1 IRIDIUM COMPLEX COMPOUND, IRIDIUM COMPLEX COMPOUND-CONTAINING COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT AND PRODUCTION METHOD THEREFOR, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING DEVICE 三菱ケミカル株式会社 2021-08-19 WO disclosed
EP-2713415-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2018-12-19 EP disclosed
US-9425402-B2 Polymerizable monomer, and material for organic device, hole injection/transport material, material for organic electroluminescence element and organic electroluminescent element each comprising polymer (polymeric compound) of the polymerizable monomer IDEMITSU KOSAN CO., LTD. (JP) 2016-08-23 US disclosed
US-9425402-B2 Polymerizable monomer, and material for organic device, hole injection/transport material, material for organic electroluminescence element and organic electroluminescent element each comprising polymer (polymeric compound) of the polymerizable monomer IDEMITSU KOSAN CO., LTD. (JP) 2016-08-23 US disclosed
US-9371484-B2 Organic light emitting diode device and liquid crystal type emitting material for the same LG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
US-9371484-B2 Organic light emitting diode device and liquid crystal type emitting material for the same LG DISPLAY CO., LTD. (KR) 2016-06-21 US disclosed
EP-2535331-B1 Condensed-Cyclic Compound and Organic Light-Emitting Diode Comprising the Same SAMSUNG DISPLAY CO LTD (KR) 2016-05-11 EP disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 US disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 US disclosed
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2011-12-29 US disclosed
US-20110315964-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER IDEMITSU LOSAN CO., LTD. 2011-12-29 US disclosed
US-8084937-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
CN-102265424-A Material for organic electroluminescent element and organic electroluminescent element 2011-11-30 CN disclosed
EP-2372803-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT Idemitsu Kosan Co., Ltd. (JP) 2011-10-05 EP disclosed
US-20090115323-A1 OLIGOFLUORENE COMPOUND AND ORGANIC EL ELEMENT USING SAME CANON KABUSHIKI KAISHA (JP) 2009-05-07 US disclosed
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-09 US disclosed
US-20090079331-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-03-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11469378-B2 Electroluminescent compound and electroluminescent device including the same LEF1, CLCN2, PIEZO1 CYP2A6 3536/4885LPL 2399/4885LIPG 2572/4885
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME ALPL, MT-ND4L, LAGE3 CYP2A6 541/4885LPL 1254/4885LIPG 2208/4885
US-20090079331-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CRY1, OCIAD1, LEF1 CYP2A6 514/4885LPL 599/4885LIPG 1274/4885
US-20230002428-A1 Iridium Complex Compound, Iridium-Complex-Compound-Containing Composition, Organic Electroluminescent Element and Method for Producing Same, Organic EL Display Device, and Organic EL Illuminator INF2, EMC2, DRD4 CYP2A6 4307/4885LPL 1506/4885LIPG 1725/4885
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, TERF2, BPTF CYP2A6 3921/4885LPL 2635/4885LIPG 3884/4885
US-20090115323-A1 OLIGOFLUORENE COMPOUND AND ORGANIC EL ELEMENT USING SAME ELP1, LEF1, ELAVL1 CYP2A6 2639/4885LPL 2134/4885LIPG 2759/4885
US-20110315964-A1 NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER EPB41, USE1, EPB41L2 CYP2A6 1421/4885LPL 3963/4885LIPG 4031/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.