SCHEMBL5980239

SCHEMBL5980239

COc1cc(F)c(-c2ccc3cc(OC)ccc3c2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.61
▸ HSD17B2 P37059 2/20 0.61
▸ GSTP1 P09211 1/20 0.53
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ CYP11B2 P19099 6/20 0.49
▸ CYP11B1 P15538 5/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ CYP2A6 P11509 1/20 0.48
▸ NISCH Q9Y2I1 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ CYP17A1 P05093 3/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ TEK Q02763 1/20 0.46
▸ CASP3 P42574 1/20 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
SCHEMBL28624616 0.83 HSD17B1 (0.58) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL5981063 0.81 GSTP1 (0.62) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL12051687 0.80 HSD17B1 (0.83) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL11723032 0.80 HSD17B1 (0.83) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL3015910 0.76 HSD17B1 (1.00) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL14041533 0.76 HSD17B1 (0.76) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL22106285 0.76 HSD17B1 (0.76) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL3020390 0.76 HSD17B1 (0.76) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL1041430 0.76 CYP1A2 (0.61) HSD17B1HSD17B2GSTP1NPC1RAB9A
SCHEMBL5981427 0.75 ESR1 (0.64) HSD17B1HSD17B2GSTP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 HSD17B1 160/4885HSD17B2 155/4885GSTP1 1087/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA HSD17B1 160/4885HSD17B2 155/4885GSTP1 1087/4885

“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.

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