SCHEMBL5222445

SCHEMBL5222445

Cc1c(-c2cccc(O)c2)nn(-c2ccc(O)cc2)c1-c1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP1A2 P05177 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 2/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 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
SCHEMBL5213849 0.91 MEN1 (0.43) ESR1CYP2C9CYP1A2HSD17B10CYP2C19
SCHEMBL11978719 0.72 PTGER1 (0.55) CYP2C9CYP1A2CYP2C19KMT2APTGER1
SCHEMBL5150789 0.71 PTGS2 (0.44) CYP3A4CYP2C9CYP1A2MAPTTSHR
SCHEMBL5219332 0.71 ESR1 (0.53) ESR1CYP3A4CYP2C9CYP1A2KDM4E
SCHEMBL13788756 0.71 PTGER1 (0.51) CYP2C9CYP1A2KDM4EALDH1A1TDP1
SCHEMBL23402921 0.70 L3MBTL1 (0.52) ESR1CYP3A4CYP2C9CYP1A2TP53
SCHEMBL23403061 0.70 L3MBTL1 (0.52) CYP3A4CYP2C9CYP1A2KDM4ETP53
Acetic Acid SCHEMBL11543434 0.69 PTGER1 (0.59) ESR1CYP3A4CYP2C9CYP1A2MAPT
SCHEMBL28299664 0.69 CYP1A2 (0.54) CYP2C9CYP1A2KDM4ETP53MAPT
SCHEMBL23399208 0.68 KMT2A (0.50) ESR1CYP3A4CYP2C9CYP1A2KDM4E

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 7 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-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 (1 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 1/4885CYP3A4 1000/4885CYP2C9 2255/4885

“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.