SCHEMBL4465486

SCHEMBL4465486

COc1ccc(OC)c(NC(=O)c2cc(OC)ccc2OC)c1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.72
GAA P10253 1/20 0.72
ALDH1A1 P00352 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPT P10636 6/20 0.65
KDM4E B2RXH2 2/20 0.65
TSHR P16473 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
LMNA P02545 2/20 0.65
HPGD P15428 1/20 0.65
ATM Q13315 1/20 0.65
HSD17B10 Q99714 1/20 0.65
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
CREBBP Q92793 1/20 0.64
MAPK1 P28482 2/20 0.62
HTT P42858 1/20 0.62
PPARG P37231 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL1353257 0.87 TP53 (0.68) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL14363413 0.84 MEN1 (0.62) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL28894148 0.84 TP53 (1.00) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL11620489 0.84 KMT2A (0.72) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL15643495 0.84 ALDH1A1 (0.56) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL19427718 0.83 MAPT (0.79) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL2269427 0.83 GAA (0.62) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL29440796 0.82 MEN1 (0.70) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL29440795 0.82 MEN1 (0.70) TP53GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL7881068 0.82 ALDH1A1 (0.57) TP53GAAALDH1A1SMN1; SMN2MAPT

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 11 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
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
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
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents WYETH 2003-10-23 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 (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 TP53 764/4885GAA 3710/4885ALDH1A1 818/4885
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA TP53 1802/4885GAA 4366/4885ALDH1A1 1038/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA TP53 1802/4885GAA 4366/4885ALDH1A1 1038/4885
US-20030199562-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA TP53 2379/4885GAA 4332/4885ALDH1A1 875/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA TP53 1802/4885GAA 4366/4885ALDH1A1 1038/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 TP53 764/4885GAA 3710/4885ALDH1A1 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.