SCHEMBL96434

SCHEMBL96434

CCOC(=O)C(Cl)(CCCc1ccc(OC)c2c1ccc(=O)n2C)C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.34
NQO2 P16083 4/20 0.34
TNF P01375 5/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.31
PTGS2 P35354 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL98053 0.94 CYP19A1 (0.36) CYP19A1NQO2TNFALDH1A1GLA
SCHEMBL98475 0.87 CYP19A1 (0.37) CYP19A1NQO2TNFALDH1A1GLA
SCHEMBL97251 0.80 L3MBTL1 (0.40) CYP19A1NQO2TNFALDH1A1LMNA
SCHEMBL97855 0.77 CYP19A1 (0.38) CYP19A1NQO2TNFALDH1A1HPGD
SCHEMBL132509 0.75 CYP19A1 (0.40) CYP19A1NQO2ALDH1A1GLAHPGD
SCHEMBL97980 0.74 ALDH1A1 (0.41) CYP19A1NQO2TNFALDH1A1GLA
SCHEMBL96811 0.71 KMT2A (0.38) CYP19A1NQO2ALDH1A1PKMRXFP1
SCHEMBL98162 0.70 CYP19A1 (0.39) CYP19A1NQO2TNFALDH1A1GLA
SCHEMBL98644 0.69 KMT2A (0.46) CYP19A1NQO2ALDH1A1RXFP1KMT2A
SCHEMBL5245341 0.68 NQO2 (0.36) CYP19A1NQO2ALDH1A1HPGDRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (2 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP19A1 2763/4885NQO2 2030/4885TNF 908/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP19A1 2763/4885NQO2 2030/4885TNF 908/4885

“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.