Sugi Predict

Sugi Predict / Compounds / SCHEMBL3853572

SCHEMBL3853572

SCHEMBL3853572

Cc1cccc(C)c1-c1ccc(-c2ccccc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.48
▸ CYP11B2 P19099 4/20 0.48
▸ HPGDS O60760 1/20 0.47
▸ LDHA P00338 2/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ BAZ2B Q9UIF8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ GRM5 P41594 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39

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
SCHEMBL21742855 0.86 LDHA (0.44) CYP11B1CYP11B2HPGDSLDHAHSD17B1
SCHEMBL22362215 0.86 PSMB5 (0.49) CYP11B1CYP11B2HPGDSLDHAHSD17B1
SCHEMBL14680823 0.85 HPGDS (0.50) CYP11B1CYP11B2HPGDSLDHAHSD17B1
SCHEMBL22183174 0.82 HSD17B1 (0.45) HPGDSHSD17B1HSD17B2NPC1RAB9A
SCHEMBL2187799 0.81 ENPP3 (0.51) CYP11B1CYP11B2HPGDSLDHAHSD17B1
SCHEMBL17173278 0.80 CYP11B1 (0.37) CYP11B1CYP11B2HSD17B1HSD17B2CYP3A4
SCHEMBL21742830 0.80 TYMS (0.40) CYP11B1CYP11B2HPGDSLDHAHSD17B1
SCHEMBL12973036 0.80 HPGDS (0.60) CYP11B1CYP11B2HPGDSLDHAHSD17B1
SCHEMBL16872795 0.79 CYP2A6 (0.49) HPGDSNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL21742836 0.79 LDHA (0.46) CYP11B1CYP11B2HPGDSLDHAHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 — — EP disclosed
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 — — US disclosed
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 — — US disclosed
US-9899612-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-20 — — US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 — — US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 — — US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 — — US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 — — US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 — — WO disclosed
US-20140284585-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2014-09-25 — — US disclosed
WO-2009073246-A1 METHOD FOR THE SYNTHESIS OF IRIDIUM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION (US) 2009-06-11 — — WO disclosed
WO-2009073245-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION (US) 2009-06-11 — — WO disclosed
WO-2009073246-A1 METHOD FOR THE SYNTHESIS OF IRIDIUM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION (US) 2009-06-11 — — WO disclosed
WO-2009073245-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION (US) 2009-06-11 — — WO disclosed
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION 2009-05-14 — — US disclosed
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION 2009-05-14 — — US disclosed
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS UNIVERSAL DISPLAY CORPORATION 2009-05-14 — — US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 — — US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 — — US disclosed
US-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES UNIVERSAL DISPLAY CORPORATION 2009-04-30 — — 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 (3 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-20090108737-A1 LIGHT-EMITTING ORGANOMETALLIC COMPLEXES CRY1, LAGE3, CRY2 CYP11B1 3825/4885CYP11B2 3868/4885HPGDS 3747/4885
US-20090124805-A1 METHOD FOR SYNTHESIS OF IRIDUIM (III) COMPLEXES WITH STERICALLY DEMANDING LIGANDS PAICS, ITPA, MPI CYP11B1 4682/4885CYP11B2 4542/4885HPGDS 2372/4885
US-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 CYP11B1 2725/4885CYP11B2 2183/4885HPGDS 4698/4885

“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.