SCHEMBL4466520

SCHEMBL4466520

CC(=O)Oc1cc(Br)c2oc(-c3ccc(OC(C)=O)c(F)c3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.51
ESR2 Q92731 12/20 0.51
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADORA3 P0DMS8 1/20 0.39
CFD P00746 1/20 0.39
CEPT1 Q9Y6K0 1/20 0.38
CETP P11597 1/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.36

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
SCHEMBL4464846 0.84 ESR2 (0.53) ESR1ESR2ALDH1A1MAPTLMNA
SCHEMBL4463663 0.82 ESR1 (0.54) ESR1ESR2ALDH1A1HDAC6KDM4E
SCHEMBL4479337 0.77 ESR2 (0.49) ESR1ESR2ALDH1A1MAPTHDAC6
SCHEMBL11696951 0.76 NPC1 (0.57) ALDH1A1MAPTLMNAKDM4ENPC1
SCHEMBL3930043 0.71 ESR1 (0.51) ESR1ESR2MAPTCFDKDM4E
SCHEMBL4468412 0.70 ESR2 (0.57) ESR1ESR2ALDH1A1HDAC6KDM4E
SCHEMBL4464248 0.69 HDAC6 (0.56) ESR1ESR2ALDH1A1MAPTLMNA
SCHEMBL1378632 0.68 ESR2 (1.00) ESR1ESR2HDAC6
SCHEMBL7734126 0.66 NPC1 (0.53) ESR1ESR2ALDH1A1MAPTHDAC6
SCHEMBL6175263 0.66 MAPT (0.55) ALDH1A1MAPTHDAC6CETPKDM4E

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 3/4885ALDH1A1 818/4885
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ALDH1A1 1038/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ALDH1A1 1038/4885
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ALDH1A1 875/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR1 1/4885ESR2 2/4885ALDH1A1 1038/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 ESR1 1/4885ESR2 3/4885ALDH1A1 818/4885

“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.