SCHEMBL5215849

SCHEMBL5215849

Cn1nc(-c2ccc(O)cc2)c2ccc3c(O)cccc3c21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.51
HPGD P15428 2/20 0.42
NAMPT P43490 3/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
ESR2 Q92731 1/20 0.41
BRAF P15056 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4026158 0.81 ESR1 (0.60) ESR1HPGDNAMPTMEN1KMT2A
SCHEMBL4025955 0.81 ESR1 (0.69) ESR1HPGDNAMPT
SCHEMBL5217637 0.78 ESR1 (0.43) ESR1ESR2BRAFKMT2A
SCHEMBL4028983 0.77 ESR1 (0.70) ESR1HPGDESR2MEN1KMT2A
SCHEMBL4025528 0.73 NAMPT (0.50) ESR1HPGDNAMPTKMT2A
SCHEMBL1376771 0.71 HPGD (0.71) HPGDMEN1HTTKMT2A
SCHEMBL6379153 0.71 ESR1 (0.63) ESR1HPGDHSD17B1HSD17B2ESR2
SCHEMBL9876833 0.70 NAMPT (0.54) ESR1HPGDNAMPT
Phenol SCHEMBL8526528 0.69 IDO1 (0.63) ESR1HPGDHSD17B1HSD17B2ESR2
Hydroquinone SCHEMBL21552049 0.69 IDO1 (0.61) ESR1HPGDHSD17B1HSD17B2ESR2

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 1/4885HPGD 645/4885NAMPT 2444/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885HPGD 645/4885NAMPT 2444/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885HPGD 645/4885NAMPT 2444/4885

“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.