SCHEMBL5218664

SCHEMBL5218664

CCc1c(-c2ccc(O)cc2)nn(-c2ccc(F)cc2)c1-c1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.69
KDM4E B2RXH2 2/20 0.69
TP53 P04637 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP3A4 P08684 2/20 0.69
MAPT P10636 2/20 0.69
CYP2C9 P11712 2/20 0.69
ALOX15 P16050 2/20 0.69
TSHR P16473 2/20 0.69
HSD17B10 Q99714 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
GMNN O75496 1/20 0.69
USP2 O75604 1/20 0.69
LMNA P02545 1/20 0.69
CYP2D6 P10635 1/20 0.69
ALOX12 P18054 1/20 0.69
NFKB1 P19838 1/20 0.69
MAPK1 P28482 1/20 0.69
CYP2C19 P33261 1/20 0.69
THPO P40225 1/20 0.69

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
SCHEMBL5219555 0.93 ESR1 (0.78) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5222121 0.88 ESR1 (0.71) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5214596 0.86 ESR1 (0.69) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5221678 0.86 ESR1 (0.69) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5217314 0.86 ESR1 (0.68) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5216489 0.86 ESR1 (0.64) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5216385 0.85 ESR1 (0.56) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5216555 0.84 ESR1 (0.78) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5214127 0.84 ESR1 (0.66) ESR1KDM4ETP53CYP1A2CYP3A4
SCHEMBL5216546 0.84 ESR1 (0.66) ESR1KDM4ETP53CYP1A2CYP3A4

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-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-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 ESR1 1/4885KDM4E 2354/4885TP53 575/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885KDM4E 2354/4885TP53 575/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885KDM4E 2354/4885TP53 575/4885

“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.