SCHEMBL5981374

SCHEMBL5981374

COc1ccc2cccc(F)c2c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
MTNR1A P48039 8/20 0.51
HTR2A P28223 2/20 0.51
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FLT3 P36888 1/20 0.46
NQO2 P16083 1/20 0.46
MTNR1B P49286 2/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
DPP4 P27487 2/20 0.45

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
SCHEMBL13715428 0.85 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1ANPC1RAB9A
SCHEMBL19382614 0.79 CYP1A2 (0.61) CYP1A2CYP2A6MTNR1AHTR2ACYP17A1
SCHEMBL12912586 0.78 CYP17A1 (0.51) CYP1A2CYP2A6MTNR1AHTR2ACYP17A1
SCHEMBL4203130 0.78 CYP1A2 (0.59) CYP1A2CYP2A6MTNR1AHTR2AMTNR1B
SCHEMBL443625 0.78 CYP1A2 (0.57) CYP1A2CYP2A6MTNR1AHTR2ARAB9A
SCHEMBL30088510 0.78 CYP1A2 (0.57) CYP1A2CYP2A6MTNR1AHTR2ARAB9A
SCHEMBL10866515 0.78 CYP2A6 (0.68) CYP1A2CYP2A6MTNR1AHTR2ACYP17A1
SCHEMBL27758533 0.78 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL1402499 0.77 MTNR1A (0.55) CYP1A2CYP2A6MTNR1AHTR2ANQO2
SCHEMBL5781073 0.77 CYP1A2 (0.55) CYP1A2CYP2A6MTNR1AHTR2AMTNR1B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102675056-A Method for preparing 6-bromo-8-fluoro-2-naphthol CGENE TECH SUZHOU CHINA CO LTD 2012-09-19 CN claimed
WO-2012170371-A1 COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2012-12-13 WO disclosed
CN-102675056-A Method for preparing 6-bromo-8-fluoro-2-naphthol CGENE TECH SUZHOU CHINA CO LTD 2012-09-19 CN 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
US-4243682-A ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; ANALGESICS; RHEUMATIC DISEASES BEECHAM GROUP LIMITED (GB) 1981-01-06 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 (2 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 CYP1A2 342/4885CYP2A6 139/4885MTNR1A 38/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA CYP1A2 342/4885CYP2A6 139/4885MTNR1A 38/4885

“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.