SCHEMBL6304101

SCHEMBL6304101

CC(C)(C)OCCOc1ccc(C(=O)c2c(-c3ccc(O)cc3)noc2-c2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
ESR1 P03372 4/20 0.39
ESR2 Q92731 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 3/20 0.38
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 1/20 0.36
NR1H4 Q96RI1 2/20 0.35
STAT3 P40763 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL5729608 0.84 STAT3 (0.48) ESR1ESR2KDM4EMAPTSTAT3
SCHEMBL5729515 0.83 APP (0.44) ESR1ESR2APPSTAT3
SCHEMBL5728503 0.83 ESR1 (0.50) ESR1ESR2APP
SCHEMBL5729665 0.82 APP (0.55) ESR1ESR2APP
SCHEMBL5729425 0.81 MEN1 (0.49) ESR2KDM4EPTGS1PTGS2L3MBTL1
SCHEMBL5730307 0.81 MEN1 (0.49) ESR2KDM4EPTGS1PTGS2L3MBTL1
SCHEMBL5728792 0.80 PTGS1 (0.48) ESR1ESR2MAPTPTGS1L3MBTL1
SCHEMBL5729122 0.80 SMN1; SMN2 (0.41) MAPTPTGS1L3MBTL1
SCHEMBL5731061 0.79 ESR1 (0.57) ESR1ESR2MAPTPTGS2NR1H4
SCHEMBL5729787 0.79 CXCR1 (0.49) ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ATM 820/4885ESR1 1/4885ESR2 2/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ATM 820/4885ESR1 1/4885ESR2 2/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 ATM 499/4885ESR1 3/4885ESR2 1/4885

“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.