SCHEMBL5221734

SCHEMBL5221734

Oc1ccc(-c2cc(-c3ccc(O)cc3)n(Cc3cccc(O)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.46
GCGR P47871 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
CD74 P04233 1/20 0.43
MIF P14174 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ESR1 P03372 1/20 0.42
GALR3 O60755 1/20 0.42
GAA P10253 1/20 0.42
NPY1R P25929 1/20 0.42
STAT3 P40763 1/20 0.42
NPY2R P49146 1/20 0.42
MGLL Q99685 2/20 0.41
ABHD6 Q9BV23 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40

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
SCHEMBL7996514 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL5312749 0.73 SMN1; SMN2 (0.58) MTORSMN1; SMN2MAPTTP53POLB
SCHEMBL5218703 0.72 ESR1 (0.47) MTORGCGRMAPTTP53CD74
SCHEMBL2466743 0.70 MET (0.65) MEN1KMT2A
SCHEMBL5216392 0.70 ESR1 (0.45) MTORMAPTTP53CD74MIF
SCHEMBL3631457 0.70 SMN1; SMN2 (0.56) GCGRSMN1; SMN2MAPTTP53POLB
SCHEMBL5220996 0.70 ESR1 (0.50) MTORMAPTTP53MEN1KMT2A
SCHEMBL7995817 0.70 MAPT (0.63) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL25733968 0.69 GABRA1 (0.51) SMN1; SMN2MAPTPOLBGAAHSD17B1
SCHEMBL29234887 0.68 CXCR2 (0.47) MAPTTP53KMT2A

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 MTOR 417/4885GCGR 84/4885SMN1; SMN2 4806/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 MTOR 417/4885GCGR 84/4885SMN1; SMN2 4806/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 MTOR 417/4885GCGR 84/4885SMN1; SMN2 4806/4885

“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.