SCHEMBL4467265

SCHEMBL4467265

C#Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.77
ESR1 P03372 15/20 0.77
HDAC6 Q9UBN7 1/20 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
SCHEMBL1379398 0.88 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL4463964 0.78 ESR2 (0.78) ESR2ESR1HDAC6
SCHEMBL3926452 0.75 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL13865475 0.74 ESR2 (0.82) ESR2ESR1HDAC6
SCHEMBL1375183 0.72 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL27680974 0.68 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL5426383 0.68 ESR2 (0.68) ESR2ESR1HDAC6
SCHEMBL5424079 0.68 ESR2 (0.68) ESR2ESR1HDAC6
SCHEMBL3930187 0.68 ESR2 (1.00) ESR2ESR1HDAC6
SCHEMBL5436427 0.67 ESR2 (0.80) ESR2ESR1HDAC6

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 12 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
EP-1451165-A1 SUBSTITUTED BENZOXAZOLES AND ANALOGUES AS ESTROGENIC AGENTS Wyeth (US) 2004-09-01 EP 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 (5 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 ESR2 3/4885ESR1 1/4885HDAC6 1696/4885
US-20050239851-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885HDAC6 1892/4885
US-20050080117-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885HDAC6 1892/4885
US-20070167503-A1 Substituted benzoxazoles as estrogenic agents ESR1, ESR2, ESRRA ESR2 2/4885ESR1 1/4885HDAC6 1892/4885
US-20060046968-A1 Prodrug substituted benzoxazoles as estrogenic agents ESR1, CYP19A1, ESR2 ESR2 3/4885ESR1 1/4885HDAC6 1696/4885

“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.