SCHEMBL1896522

SCHEMBL1896522

COc1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.68
CYP2A6 P11509 1/20 0.68
CYP11B2 P19099 4/20 0.59
CYP11B1 P15538 3/20 0.59
HSD17B1 P14061 1/20 0.59
HSD17B2 P37059 1/20 0.59
ESR2 Q92731 2/20 0.57
ESR1 P03372 1/20 0.57
ABL1 P00519 2/20 0.57
ABCB1 P08183 2/20 0.57
BCR P11274 2/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MAPT P10636 1/20 0.53

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
SCHEMBL4017171 0.94 CYP1A2 (0.59) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL29847312 0.94 CYP1A2 (0.59) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL29847374 0.94 CYP1A2 (0.59) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL25041887 0.91 CYP1A2 (0.83) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL28147639 0.91 HSD17B1 (0.68) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL29588373 0.89 CYP1A2 (0.79) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL11978648 0.89 CYP1A2 (0.79) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL13367666 0.88 CYP1A2 (0.53) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL5981250 0.87 HSD17B1 (0.70) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1
SCHEMBL28104773 0.86 HSD17B1 (0.63) CYP1A2CYP2A6CYP11B2CYP11B1HSD17B1

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
CN-116041153-B Direct cross coupling method of aryl thioether and aryl bromine 南京工业大学 2024-05-24 CN disclosed
CN-116041153-A Direct cross coupling method of aryl thioether and aryl bromine 南京工业大学 2023-05-02 CN disclosed
US-20210384430-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO.,LTD. (JP) 2021-12-09 US disclosed
US-10811612-B2 Organic electroluminescence device and electronic apparatus provided with the same IDEMITSU KOSAN CO., LTD. (JP) 2020-10-20 US disclosed
US-20200111965-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2020-04-09 US disclosed
US-20200111962-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2020-04-09 US disclosed
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-9708351-B2 Alkenes as alkyne equivalents in radical cascades terminated by fragmentations The Florida State University Research Foundation, Inc. (US) 2017-07-18 US disclosed
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS The Florida State University Research Foundation, Inc. 2016-12-01 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
WO-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO 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-20200111965-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS PROVIDED WITH THE SAME RER1, RPS19, ESR1 CYP1A2 1809/4885CYP2A6 2859/4885CYP11B2 1428/4885
US-20030181519-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA CYP1A2 342/4885CYP2A6 139/4885CYP11B2 257/4885
US-20090145483-A1 Novel electroluminescent compounds and organic electroluminescent device suing the same LEF1, ODC1, AOC2 CYP1A2 1920/4885CYP2A6 4133/4885CYP11B2 2615/4885
US-20090078317-A1 Organometalic compounds for electroluminescence and organic electroluminescent device using the same OCIAD1, L1CAM, OCIAD2 CYP1A2 1002/4885CYP2A6 2139/4885CYP11B2 1643/4885
US-10811612-B2 Organic electroluminescence device and electronic apparatus provided with the same RER1, RPS19, ESR1 CYP1A2 1809/4885CYP2A6 2859/4885CYP11B2 1428/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA CYP1A2 342/4885CYP2A6 139/4885CYP11B2 257/4885
US-20160347778-A1 ALKENES AS ALKYNE EQUIVALENTS IN RADICAL CASCADES TERMINATED BY FRAGMENTATIONS AOC3, OR51E2, AOC2 CYP1A2 444/4885CYP2A6 666/4885CYP11B2 77/4885

“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.