SCHEMBL5981472

SCHEMBL5981472

CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc3c([N+](=O)[O-])c(O)ccc3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.62
▸ ESR2 Q92731 6/20 0.62
▸ PIM1 P11309 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ MCL1 Q07820 1/20 0.39
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ PREP P48147 4/20 0.37
▸ HNF4A P41235 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33

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
SCHEMBL3935673 0.77 ESR1 (1.00) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL21603046 0.72 MAPK1 (0.46) CA12CA1CA9PREP
SCHEMBL21603059 0.71 MCL1 (0.38) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL28795588 0.70 CA12 (0.49) ESR1ESR2CA12CA1CA9
SCHEMBL23491348 0.69 PREP (0.57) ESR2CA12CA1CA9PREP
SCHEMBL26933730 0.69 ESR1 (0.63) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL5981389 0.69 ESR1 (0.63) ESR1ESR2PIM1DYRK1APIM3
SCHEMBL4686044 0.68 HTT (0.45) CA12CA1CA9PREP
SCHEMBL5379895 0.68 PREP (0.53) ESR1ESR2CA12CA1CA9
SCHEMBL21487676 0.67 GPR35 (0.46) MCL1

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 ESR1 2/4885ESR2 1/4885PIM1 1973/4885
US-20040225123-A1 Substituted phenyl naphthalenes as estrogenic agents ESR2, ESR1, ESRRA ESR1 2/4885ESR2 1/4885PIM1 1973/4885

“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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