SCHEMBL3922827

SCHEMBL3922827

Oc1ccc(-c2cc3c(Br)c(O)ccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.55
▸ CYP3A4 P08684 5/20 0.55
▸ HPGD P15428 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ IP6K2 Q9UHH9 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ LMNA P02545 2/20 0.55
▸ THRB P10828 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ ESR1 P03372 5/20 0.54
▸ ESR2 Q92731 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.50
▸ CSNK2A2 P19784 3/20 0.50
▸ CSNK2B P67870 3/20 0.50

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
SCHEMBL13980461 0.80 NPC1 (0.55) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3933862 0.80 CSNK2A2 (0.57) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3925355 0.80 NPC1 (0.55) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3934054 0.76 MAPT (0.57) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL13980459 0.76 NPC1 (0.51) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3932001 0.76 ESR1 (0.56) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3925359 0.75 ESR1 (0.68) MAPTESR1ESR2KDM4ECSNK2A2
SCHEMBL1740975 0.74 SIRT1 (0.69) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL4988784 0.73 MAPT (0.77) NPC1CYP3A4HPGDMAPTSMN1; SMN2
SCHEMBL3928094 0.71 ESR1 (0.74) NPC1CYP3A4HPGDMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 — — WO claimed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 — — US claimed
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2005-02-17 — — US claimed
EP-1458700-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS Wyeth (US) 2004-09-22 — — EP claimed
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents WYETH 2003-09-11 — — US claimed
WO-2003051860-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS WYETH (US) 2003-06-26 — — WO claimed
WO-2021183760-A1 METHODS OF MODULATING T-CELL ACTIVATION USING ESTROGEN RECEPTOR BETA (ERΒ) AGONISTS OHIO STATE INNOVATION FOUNDATION (US) 2021-09-16 — — WO disclosed
WO-2020160225-A1 ESTROGEN RECEPTOR BETA (ERβ) AGONISTS FOR THE TREATMENT OF FIBROTIC CONDITIONS OHIO STATE INNOVATION FOUNDATION (US) 2020-08-06 — — WO disclosed
WO-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 — — WO disclosed
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-08 — — US disclosed
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
EP-1458700-A2 SUBSTITUTED 2-PHENYL BENZOFURANS AS ESTROGENIC AGENTS Wyeth (US) 2004-09-22 — — EP 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
WO-2003051860-A2 SUBSTITUTED 2-PHENYL BENZOFURANS 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 (4 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 NPC1 2605/4885CYP3A4 332/4885HPGD 2997/4885
US-20050038107-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, ESRRA NPC1 3092/4885CYP3A4 404/4885HPGD 2801/4885
US-20090010884-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION COL2A1, COL1A1, COL14A1 NPC1 1542/4885CYP3A4 2346/4885HPGD 169/4885
US-20030171428-A1 Substituted 2-phenyl benzofurans as estrogenic agents ESR1, ESR2, GPER1 NPC1 2824/4885CYP3A4 389/4885HPGD 2752/4885

“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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