SCHEMBL98449

SCHEMBL98449

COc1ccc(C(C)C(C(=O)O)C(=O)O)c2ccc(=O)n(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.39
NQO2 P16083 4/20 0.39
KMT2A Q03164 3/20 0.38
ADORA1 P30542 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL98162 0.73 CYP19A1 (0.39) CYP19A1NQO2KMT2AMAPTALDH1A1
SCHEMBL98644 0.72 KMT2A (0.46) CYP19A1NQO2KMT2AADORA1MAPT
SCHEMBL14438070 0.70 CYP19A1 (0.61) CYP19A1NQO2ADORA1MAPTALDH1A1
SCHEMBL96811 0.70 KMT2A (0.38) CYP19A1NQO2KMT2AADORA1MAPT
SCHEMBL11710817 0.69 CYP19A1 (0.37) CYP19A1NQO2KMT2AADORA1MAPT
SCHEMBL97946 0.69 KMT2A (0.36) CYP19A1NQO2KMT2AADORA1MAPT
SCHEMBL97528 0.67 CYP19A1 (0.49) CYP19A1NQO2ADORA1MAPTALDH1A1
SCHEMBL3660477 0.67 ADRA1A (0.54) KMT2AHSD17B10CA1CA2PTGS1
SCHEMBL28815671 0.67 PTGS2 (0.46) KMT2AMAPTALDH1A1HSD17B10CA1
SCHEMBL97980 0.66 ALDH1A1 (0.41) CYP19A1NQO2KMT2AMAPTALDH1A1

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 2030/4885KMT2A 2732/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP19A1 2763/4885NQO2 2030/4885KMT2A 2732/4885

“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.