SCHEMBL5729672

SCHEMBL5729672

COc1ccc(-c2noc(-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.70
PTGS1 P23219 1/20 0.56
PDE3A Q14432 1/20 0.56
MLYCD O95822 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
SCHEMBL5730530 0.92 PTGS2 (0.60) PTGS2PTGS1PDE3AMLYCD
SCHEMBL5731027 0.92 PTGS2 (0.60) PTGS2PTGS1PDE3AMLYCD
SCHEMBL5729956 0.85 PTGS2 (0.56) PTGS2PTGS1PDE3A
SCHEMBL5730259 0.85 PTGS2 (0.56) PTGS2PTGS1PDE3A
SCHEMBL5729495 0.83 THRB (0.61) PTGS2PTGS1PDE3A
SCHEMBL5729200 0.83 THRB (0.61) PTGS2PTGS1PDE3A
SCHEMBL5729316 0.82 PTGS2 (0.60) PTGS2PTGS1PDE3A
SCHEMBL2760349 0.82 PTGS2 (1.00) PTGS2PTGS1PDE3A
SCHEMBL5730934 0.81 PTGS2 (0.54) PTGS2PTGS1PDE3A
SCHEMBL2720562 0.80 MEN1 (0.51) PTGS2PTGS1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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 (3 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS2 728/4885PTGS1 588/4885PDE3A 2004/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PTGS2 728/4885PTGS1 588/4885PDE3A 2004/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 PTGS2 515/4885PTGS1 413/4885PDE3A 1647/4885

“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.