SCHEMBL97948

SCHEMBL97948

O=CCCCc1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.42
CDK1 P06493 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL97985 0.94 DAO (0.41) DAOCDK1ALDH1A1HTT
SCHEMBL584658 0.88 DAO (0.45) DAOALDH1A1HTTMAOAMAOB
SCHEMBL2692116 0.79 SLC6A2 (0.46) DAOCDK1
SCHEMBL28209204 0.78 DAO (0.46) DAOALDH1A1HTTMAOAMAOB
SCHEMBL3242822 0.78 TAAR1 (0.46) MAOB
SCHEMBL896163 0.77 HTT (0.42) DAOALDH1A1HTTMAOAMAOB
SCHEMBL16105820 0.76 DAO (0.55) DAOALDH1A1HTTMAOAMAOB
SCHEMBL1705960 0.76 TAAR1 (0.53) DAOMAOAMAOB
SCHEMBL895460 0.75 CYP2D6 (0.49) DAOALDH1A1HTTMAOA
SCHEMBL31753586 0.75 CYP4A11 (0.40) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257894-A1 P300 INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2022-12-15 WO disclosed
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 DAO 2752/4885CDK1 678/4885ALDH1A1 2948/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 DAO 2277/4885CDK1 2359/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 DAO 2277/4885CDK1 2359/4885ALDH1A1 2458/4885

“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.