SCHEMBL4568518

SCHEMBL4568518

CCOc1ccc2c(Cc3cccc(C(=O)OC)n3)c(-c3ccc(F)cc3)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.42
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
CHRNA7 P36544 2/20 0.38
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
TSPO P30536 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL4568179 0.92 CYP19A1 (0.50) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568097 0.92 TP53 (0.41) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL3706168 0.91 CYP19A1 (0.41) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568465 0.87 MDM4 (0.43) CYP19A1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4568524 0.87 GRM5 (0.39) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4568528 0.86 MRGPRX4 (0.42) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL4568522 0.86 TUBB4A (0.42) MAPTKDM4EKMT2AHSD17B10
SCHEMBL4568496 0.86 MTNR1A (0.45) CYP19A1MAPTRXFP1KDM4EMEN1
SCHEMBL3703738 0.85 TUBB4A (0.46) CYP19A1MAPT
SCHEMBL4568426 0.84 KDM4E (0.45) CYP19A1MAPK13MAPK12MAPK11MAPK14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP19A1 1262/4885MAPK13 3349/4885MAPK12 3318/4885

“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.