SCHEMBL5216012

SCHEMBL5216012

Cc1ccc(-n2nc(-c3ccc(O)cc3)c(-c3ccccc3)c2-c2ccc(O)cc2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 4/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ESR1 P03372 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ESR2 Q92731 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 2/20 0.37
MAP2K4 P45985 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAPKAPK3 Q16644 1/20 0.37
MAPK6 Q16659 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5218760 0.88 CNR1 (0.43) CA1CA2
SCHEMBL5215623 0.87 KMT2A (0.44) CA1CA2KMT2AMEN1MAPT
SCHEMBL5217969 0.84 MAPT (0.43) CA1CA2KMT2AMEN1MAPT
SCHEMBL5218508 0.82 CNR1 (0.46)
SCHEMBL5216990 0.82 KMT2A (0.52) CA1CA2KMT2AMEN1MAPT
SCHEMBL5216027 0.81 RPA1 (0.47) CA1CA2KMT2AMEN1MAPT
SCHEMBL5214986 0.81 KMT2A (0.41) CA1CA2KMT2AMEN1MAPT
SCHEMBL5213173 0.81 CA1 (0.42) CA1CA2KMT2AMEN1MAPT
SCHEMBL5214017 0.80 MAPK1 (0.51) CA1CA2KMT2AMAPTUSP2
SCHEMBL5219260 0.79 CA1 (0.64) CA1CA2KMT2AMEN1MAPT

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 CA1 3734/4885CA2 4534/4885KMT2A 2791/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 CA1 3734/4885CA2 4534/4885KMT2A 2791/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 CA1 3734/4885CA2 4534/4885KMT2A 2791/4885

“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.