SCHEMBL4474571

SCHEMBL4474571

COc1cc(-c2ccco2)c2oc(-c3ccc(OC)c(F)c3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.59
ESR2 Q92731 3/20 0.59
ADORA2A P29274 4/20 0.54
PDE4C Q08493 2/20 0.52
ADORA1 P30542 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 2/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL4465511 0.86 ESR1 (0.61) ESR1ESR2ADORA2APDE4CADORA1
SCHEMBL4463663 0.80 ESR1 (0.54) ESR1ESR2SMN1; SMN2MEN1KMT2A
SCHEMBL1377669 0.74 ESR2 (1.00) ESR1ESR2ADORA2AADORA1
SCHEMBL4473521 0.69 ESR1 (0.58) ESR1ESR2SMN1; SMN2MEN1KMT2A
SCHEMBL1375033 0.68 ESR2 (1.00) ESR1ESR2ADORA2AADORA1
SCHEMBL4054502 0.68 NPC1 (0.64) ADORA2APDE4CADORA1SMN1; SMN2MEN1
SCHEMBL14169838 0.67 ESR2 (0.73) ESR1ESR2
SCHEMBL27820748 0.66 MEN1 (0.49) ADORA2ASMN1; SMN2MEN1KMT2ATP53
SCHEMBL14170020 0.66 ESR2 (0.51) ESR1ESR2PDGFRBPDGFRA
SCHEMBL4468412 0.66 ESR2 (0.57) ESR1ESR2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531564-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2009-05-12 US disclosed
EP-1982713-A2 Substituted benzoxazoles and analogues as estrogenic agents Wyeth (US) 2008-10-22 EP disclosed
US-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2008-10-16 US disclosed
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2007-07-19 US disclosed
EP-1781628-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS Wyeth a Corporation of the State of Delaware (US) 2007-05-09 EP disclosed
US-7148247-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2006-12-12 US disclosed
US-7129258-B2 Substituted benzoxazoles as estrogenic agents WYETH (US) 2006-10-31 US disclosed
WO-2006026316-A2 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS WYETH (US) 2006-03-09 WO disclosed
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents WYETH (US) 2006-03-02 US disclosed
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-10-27 US disclosed
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents WYETH (US) 2005-04-14 US disclosed
US-6794403-B2 FOR TREATING OR INHIBITING INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE PROCTITIS OR COLITIS PROSTATIC HYPERTROPHY, UTERINE LEIOMYOMAS, BREAST CANCER, ENDOMETRIAL CANCER, CARDIOVASCULAR DISEASE, ALZHEIMER'S DISEASE WYETH 2004-09-21 US disclosed
EP-1451165-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-01 EP disclosed
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents WYETH 2003-10-23 US disclosed
WO-2003050095-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS WYETH (US) 2003-06-19 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 (6 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-20080255057-A1 PRODRUG SUBSTITUTED BENZOXAZOLES AS ESTROGENIC AGENTS ESR1, CYP19A1, ESR2 ESR1 1/4885ESR2 3/4885ADORA2A 462/4885
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ADORA2A 774/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ADORA2A 774/4885
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ADORA2A 1007/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ADORA2A 774/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 ESR1 1/4885ESR2 3/4885ADORA2A 462/4885

“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.