SCHEMBL5216372

SCHEMBL5216372

COc1ccc(-c2n[nH]c(-c3ccc(OC)cc3)c2Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.50
CCND1 P24385 5/20 0.50
CDK2 P24941 5/20 0.50
CCNE2 O96020 4/20 0.50
CCNE1 P24864 4/20 0.50
LTA4H P09960 1/20 0.50
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
GAPDH P04406 1/20 0.49
MEN1 O00255 1/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 3/20 0.44
APAF1 O14727 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7996516 0.81 RPS6KA3 (0.47) KDM4EKMT2AMEN1ALDH1A1HPGD
SCHEMBL8008699 0.81 KMT2A (0.50) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL8887257 0.80 LMNA (0.52) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL22784037 0.79 CCNE2 (0.46) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL17279842 0.78 HPGD (0.45) CDK2KDM4EMAPTALDH1A1NPSR1
SCHEMBL8020401 0.77 MAPT (0.67) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL8889726 0.76 ADORA3 (0.46) LTA4HKDM4EMAPTKMT2AMEN1
SCHEMBL8888564 0.76 ADORA3 (0.45) LTA4HKDM4EMAPTKMT2AMEN1
SCHEMBL28102385 0.75 MAPT (0.56) CDK4CCND1CDK2CCNE2CCNE1
SCHEMBL28102260 0.75 MAPT (0.56) CDK4CCND1CDK2CCNE2CCNE1

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-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000019994-A9 ESTROGEN RECEPTOR LIGANDS UNIV ILLINOIS (US) 2000-08-31 WO disclosed
WO-2000019994-A1 ESTROGEN RECEPTOR LIGANDS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-13 WO disclosed
WO-2000007996-A2 PYRAZOLES 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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CDK4 395/4885CCND1 2661/4885CDK2 519/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 CDK4 395/4885CCND1 2661/4885CDK2 519/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CDK4 395/4885CCND1 2661/4885CDK2 519/4885

“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.