SCHEMBL322802

SCHEMBL322802

CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(Br)ccc4c3)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDK2 Q15119 14/20 0.41
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
CDC25A P30304 1/20 0.36
PTPRC P08575 1/20 0.34
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL431640 1.00 CYP2A6 (0.43) CYP2A6CYP11B1CYP11B2PDK2PTPN1
SCHEMBL2472423 0.95 CYP2A6 (0.42) CYP2A6CYP11B1CYP11B2PDK2PTPRC
SCHEMBL30631789 0.91 PDK2 (0.49) PDK2PTPRC
SCHEMBL431791 0.91 PDK2 (0.49) PDK2PTPRC
SCHEMBL431255 0.91 PDK2 (0.49) PDK2PTPRC
SCHEMBL20938291 0.91 CYP11B1 (0.42) CYP2A6CYP11B1CYP11B2PDK2PTPN1
SCHEMBL2965864 0.91 PDK2 (0.43) PDK2LPLLIPG
SCHEMBL12560767 0.90 CYP2A6 (0.38) CYP2A6CYP11B1CYP11B2PDK2PTPN1
SCHEMBL2472869 0.89 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2PDK2LPL
SCHEMBL429952 0.89 CYP2A6 (0.48) CYP2A6CYP11B1CYP11B2PDK2LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2730634-B1 NOVEL COMPOUND AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEMICAL LTD (KR) 2019-10-09 EP disclosed
EP-2713415-B1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2018-12-19 EP disclosed
US-20160141506-A1 NAPHTHO[2,1-b]FLUORANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, LIGHTING APPARATUS, IMAGE FORMING APPARATUS, AND EXPOSING APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-05-19 US disclosed
US-20160141506-A1 NAPHTHO[2,1-b]FLUORANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, LIGHTING APPARATUS, IMAGE FORMING APPARATUS, AND EXPOSING APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-05-19 US disclosed
US-9178161-B2 Benzo[c]phenanthrene compound and organic light-emitting device containing same CANON KABUSHIKI KAISHA (JP) 2015-11-03 US disclosed
US-9178161-B2 Benzo[c]phenanthrene compound and organic light-emitting device containing same CANON KABUSHIKI KAISHA (JP) 2015-11-03 US disclosed
US-9000169-B2 Compounds and organic electronic device using the same LG CHEM, LTD. (KR) 2015-04-07 US disclosed
US-9000169-B2 Compounds and organic electronic device using the same LG CHEM, LTD. (KR) 2015-04-07 US disclosed
US-8941099-B2 Organic light emitting device and materials for use in same UNIVERSAL DISPLAY CORPORATION (US) 2015-01-27 US disclosed
US-8940412-B2 Material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-01-27 US disclosed
US-20120235888-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2012-09-20 US disclosed
WO-2012005724-A1 HOST MATERIAL FOR ORGANIC LIGHT EMITTING DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2012-01-12 WO 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-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
WO-2011068034-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2011-06-09 WO disclosed
US-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-04-09 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 (4 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-20090091252-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME ALPL, MT-ND4L, LAGE3 CYP2A6 541/4885CYP11B1 484/4885CYP11B2 268/4885
US-20120235888-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME AHR, ARNT, NR0B1 CYP2A6 418/4885CYP11B1 193/4885CYP11B2 284/4885
US-20110315965-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ORGANIC ELECTROLUMINESCENT ELEMENT LEF1, TERF2, BPTF CYP2A6 3921/4885CYP11B1 3176/4885CYP11B2 3001/4885
US-20160141506-A1 NAPHTHO[2,1-b]FLUORANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, LIGHTING APPARATUS, IMAGE FORMING APPARATUS, AND EXPOSING APPARATUS NAP1L1, NR0B2, AFF1 CYP2A6 540/4885CYP11B1 964/4885CYP11B2 1096/4885

“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.