SCHEMBL1755086

SCHEMBL1755086

COc1ccc2cc(-c3ccccc3)ccc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 6/20 0.77
CYP11B1 P15538 5/20 0.77
HSD17B1 P14061 2/20 0.68
HSD17B2 P37059 2/20 0.68
CYP1A2 P05177 3/20 0.65
CYP2A6 P11509 1/20 0.65
CYP17A1 P05093 3/20 0.64
CYP19A1 P11511 1/20 0.64
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
GSTP1 P09211 1/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
PLAU P00749 1/20 0.56
ABL1 P00519 1/20 0.55
ABCB1 P08183 1/20 0.55
BCR P11274 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL22402247 1.00 CYP11B2 (0.77) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL5980264 0.96 CYP11B2 (0.73) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
Methyl Alcohol SCHEMBL29235275 0.96 CYP11B2 (0.73) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL23747205 0.96 CYP11B2 (0.78) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL27945362 0.96 CYP11B2 (0.73) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL25041887 0.89 CYP1A2 (0.83) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL3020390 0.89 HSD17B1 (0.76) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL11723032 0.89 HSD17B1 (0.83) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL12051687 0.89 HSD17B1 (0.83) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2
SCHEMBL29588373 0.88 CYP1A2 (0.79) CYP11B2CYP11B1HSD17B1HSD17B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303601-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-28 US disclosed
CN-114591128-B Direct cross-coupling method of aryl sulfide salt and aryl bromide 南京工业大学 2023-08-22 CN disclosed
CN-114685251-B Direct cross-coupling reaction method of diaryl sulfoxide and aryl bromide 南京工业大学 2022-12-27 CN disclosed
CN-114685251-A Direct cross-coupling reaction method of diaryl sulfoxide and aryl bromide 南京工业大学 2022-07-01 CN disclosed
CN-114591128-A Direct cross-coupling method of aryl sulfur salt and aryl bromide 南京工业大学 2022-06-07 CN disclosed
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 US disclosed
CN-104650110-B Novel heterocyclic compound, method for producing intermediate therefor, and use thereof 日本化药株式会社 2017-04-12 CN disclosed
CN-103391942-A Novel heterocyclic compound, method for producing intermediate thereof, and use thereof UNIV HIROSHIMA 2013-11-13 CN disclosed
US-8470208-B2 Organometallic complexes E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-8470208-B2 Organometallic complexes E I DU PONT DE NEMOURS AND COMPANY (US) 2013-06-25 US disclosed
US-20090159130-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-25 US disclosed
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same GRACEL DISPLAY INC. (KR) 2009-06-11 US disclosed
US-20090078317-A1 Organometalic compounds for electroluminescence and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-03-26 US disclosed
US-7067524-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2006-06-27 US disclosed
CN-1738788-A Substituted phenylnaphthalenes as estrogenic agents WYETH CORP (US) 2006-02-22 CN disclosed
US-6914074-B2 Substituted phenyl naphthalenes as estrogenic agents WYETH (US) 2005-07-05 US disclosed
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents MEWSHAW RICHARD E (US) 2004-11-11 US disclosed
EP-1453782-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-08 EP disclosed
US-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents WYETH 2003-09-25 US disclosed
WO-2003051805-A2 SUBSTITUTED PHENYL NAPHTHALENES AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 WO 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-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA CYP11B2 257/4885CYP11B1 174/4885HSD17B1 160/4885
US-20230303601-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MGLL, SELENOI, APOL1 CYP11B2 3840/4885CYP11B1 3748/4885HSD17B1 3449/4885
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same LEF1, ODC1, AOC2 CYP11B2 2615/4885CYP11B1 2065/4885HSD17B1 2583/4885
US-20090078317-A1 Organometalic compounds for electroluminescence and organic electroluminescent device using the same OCIAD1, L1CAM, OCIAD2 CYP11B2 1643/4885CYP11B1 1367/4885HSD17B1 2499/4885
US-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 CYP11B2 4666/4885CYP11B1 4354/4885HSD17B1 1285/4885
US-20090159130-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same AOX1, LEF1, ODC1 CYP11B2 731/4885CYP11B1 548/4885HSD17B1 1517/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA CYP11B2 257/4885CYP11B1 174/4885HSD17B1 160/4885

“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.