SCHEMBL4680348

SCHEMBL4680348

N#CCc1cc(O)c(Cl)c2cc(-c3ccc(O)cc3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 13/20 1.00
▸ ESR1 P03372 12/20 1.00
▸ TERT O14746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ INPPL1 O15357 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ PFKFB3 Q16875 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3925053 0.76 ESR2 (1.00) ESR2ESR1KDM4EINPPL1ALPL
SCHEMBL31042796 0.76 ESR2 (1.00) ESR2ESR1KDM4EINPPL1ALPL
SCHEMBL3936717 0.72 ESR1 (1.00) ESR2ESR1KDM4EKMT2A
SCHEMBL3925355 0.67 NPC1 (0.55) ESR2ESR1KDM4EPOLBMAPT
SCHEMBL1119294 0.66 ESR2 (0.53) ESR2ESR1KMT2AMMP3PTPN1
SCHEMBL3939004 0.65 ESR2 (1.00) ESR2ESR1
SCHEMBL28551500 0.64 TERT (0.51) ESR2ESR1TERTKDM4EPOLB
SCHEMBL21801102 0.64 TERT (0.58) ESR2ESR1TERTKDM4EINPPL1
SCHEMBL1378401 0.63 ESR2 (1.00) ESR2ESR1
SCHEMBL3933186 0.63 ESR2 (0.76) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458700-B1 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH CORP (US) 2008-12-03 — — EP disclosed
US-20060074128-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH (US) 2006-04-06 — — US disclosed
US-7022733-B2 Substituted 2-phenyl benzofurans as estrogenic agents WYETH (US) 2006-04-04 — — US disclosed
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2005-02-17 — — US disclosed
US-6774248-B2 ANTICANCER AGENTS; ANTICHOLESTEROL AGENTS; COGNITION ACTIVATORS; RHEUMATIC DISEASES WYETH 2004-08-10 — — US disclosed
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2003-09-11 — — 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 (3 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-20060074128-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 ESR2 2/4885ESR1 1/4885TERT 2329/4885
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885TERT 2209/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 ESR2 2/4885ESR1 1/4885TERT 2120/4885

“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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