SCHEMBL5216396

SCHEMBL5216396

Cc1cc(C(F)(F)F)cc(-n2nc(-c3ccc(O)cc3)c(-c3ccccc3)c2-c2ccc(O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.47
ESR2 Q92731 5/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TOP1 P11387 1/20 0.39
SLC2A1 P11166 1/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
PTGER1 P34995 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
USP7 Q93009 1/20 0.36

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
SCHEMBL5218817 0.83 ESR1 (0.46) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL5214054 0.82 KMT2A (0.51) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL6763972 0.78 MET (0.39) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL5215071 0.78 ESR1 (0.47) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL5379523 0.77 ESR1 (0.45) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL5218096 0.76 KMT2A (0.41) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL5214755 0.75 ESR1 (0.45) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL5217068 0.73 ESR1 (0.47) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL5220819 0.73 GAA (0.44) ESR1ESR2TDP1KMT2AMEN1
SCHEMBL5217499 0.72 ESR1 (0.41) ESR1ESR2TDP1KMT2AMEN1

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
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
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 1/4885ESR2 2/4885TDP1 3285/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885TDP1 3285/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885TDP1 3285/4885

“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.