SCHEMBL96078

SCHEMBL96078

O=CCCCCCc1ccc(I)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.48
SPHK1 Q9NYA1 6/20 0.48
CDK1 P06493 1/20 0.38
TSHR P16473 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
SIGMAR1 Q99720 3/20 0.35
HIF1A Q16665 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 1/20 0.34
TACR2 P21452 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL5908716 0.92 SPHK2 (0.40) SPHK2SPHK1SIGMAR1HIF1ACYP3A4
SCHEMBL96517 0.83 CYP3A4 (0.38) SPHK2SPHK1SIGMAR1CYP3A4
SCHEMBL28284957 0.82 SPHK2 (0.46) SPHK2SPHK1SIGMAR1HIF1AKDM4E
SCHEMBL11200491 0.80 MAOB (0.55) CDK1TSHRSIGMAR1KDM4EALDH1A1
SCHEMBL18092526 0.80 CDK1 (0.42) CDK1TSHRTRPV1SIGMAR1HIF1A
SCHEMBL8827593 0.80 TSHR (0.64) TSHRTRPV1HIF1AKDM4EALDH1A1
SCHEMBL8070908 0.80 SPHK2 (0.48) SPHK2SPHK1TSHRALDH1A1LMNA
SCHEMBL8072635 0.80 SPHK2 (0.48) SPHK2SPHK1TSHRALDH1A1LMNA
SCHEMBL97939 0.80 TSHR (0.64) TSHRTRPV1HIF1AKDM4EALDH1A1
SCHEMBL8073049 0.80 SPHK2 (0.48) SPHK2SPHK1TSHRALDH1A1LMNA

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 11 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
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO 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 1150/4885CDK1 678/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SPHK2 471/4885SPHK1 531/4885CDK1 2359/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SPHK2 471/4885SPHK1 531/4885CDK1 2359/4885

“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.