SCHEMBL97171

SCHEMBL97171

O=[C]CC/C=C/Cc1ccc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 2/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL97172 1.00 CYP1A2 (0.43) CYP1A2CYP3A4MAPTALDH1A1USP2
SCHEMBL95673 0.79 CYP1A2 (0.43) CYP1A2CYP3A4MAPTALDH1A1USP2
SCHEMBL1468162 0.76 MAPT (0.55) CYP1A2CYP3A4MAPTALDH1A1USP2
SCHEMBL11193009 0.74 ALDH1A1 (0.46) CYP1A2CYP3A4MAPTALDH1A1USP2
SCHEMBL2096813 0.71 KCNH2 (0.41) CYP1A2KCNH2CYP2C9CYP2C19
SCHEMBL8063264 0.71 MAPT (0.79) CYP1A2CYP3A4MAPTALDH1A1USP2
SCHEMBL28473050 0.71 CYP1A2 (0.53) CYP1A2CYP3A4MAPTALDH1A1USP2
SCHEMBL2096811 0.71 KCNH2 (0.41) CYP1A2KCNH2CYP2C9CYP2C19
SCHEMBL95858 0.69 MAOB (0.35) CYP3A4
SCHEMBL95859 0.69 MAOB (0.35) CYP3A4

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
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-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 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 (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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CYP1A2 3062/4885CYP3A4 3412/4885MAPT 4112/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP1A2 1412/4885CYP3A4 953/4885MAPT 4773/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP1A2 1412/4885CYP3A4 953/4885MAPT 4773/4885

“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.