SCHEMBL96694

SCHEMBL96694

CCCCCc1cccc(-c2nnc(CCCCCO)o2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 8/20 0.56
SPHK1 Q9NYA1 7/20 0.56
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
NOTUM Q6P988 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL94884 0.89 SPHK2 (0.56) SPHK2SPHK1LPLLIPGNOTUM
SCHEMBL96693 0.88 SPHK2 (0.53) SPHK2SPHK1LPLLIPG
SCHEMBL2536135 0.84 MAPT (0.48) SPHK2SPHK1NOTUM
SCHEMBL94883 0.84 SPHK2 (0.54) SPHK2SPHK1LPLLIPGNOTUM
SCHEMBL6743731 0.79 ALDH1A1 (0.56) NOTUM
SCHEMBL94738 0.77 SPHK2 (0.57) SPHK2SPHK1LPLLIPGNOTUM
SCHEMBL3033916 0.77 LPL (0.62) LPLLIPG
SCHEMBL2968360 0.77 MAPT (0.54) SPHK2SPHK1NOTUM
SCHEMBL1313658 0.77 SPHK1 (0.53) SPHK2SPHK1NOTUM
SCHEMBL96813 0.75 MAPT (0.44) SPHK1LIPGNOTUM

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 9 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
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB SPHK2 1273/4885SPHK1 1150/4885LPL 4238/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SPHK2 471/4885SPHK1 531/4885LPL 2580/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SPHK2 471/4885SPHK1 531/4885LPL 2580/4885

“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.