SCHEMBL8083467

SCHEMBL8083467

CC(C)=C1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.45
MAOA P21397 1/20 0.43
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
TDP2 O95551 1/20 0.37
SMAD3 P84022 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL13191817 0.82 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL7323969 0.80 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL7323961 0.80 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL12870972 0.77 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL21786201 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL13840142 0.77 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL2324941 0.76
SCHEMBL17123005 0.75 ALDH1A1 (0.31) ALDH1A1MAPTKDM4E
SCHEMBL14959874 0.75 POLB (0.46) ALDH1A1MAPTKDM4EPOLBMAOA
SCHEMBL25139402 0.75 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EPOLBMAOA

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
US-20230270825-A1 STAPLED OLEFIN CO-AGONISTS OF THE GLUCAGON AND GLP-1 RECEPTORS MERCK SHARP & DOHME LLC (US) 2023-08-31 US disclosed
WO-2021136808-A1 CONJUGATES UNDERGOING INTRAMOLECULAR REARRANGEMENTS ASCENDIS PHARMA A/S (DK) 2021-07-08 WO disclosed
US-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-21 US disclosed
US-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-21 US disclosed
EP-2565205-A1 GLUCAGON-LIKE PEPTIDE-1 ANALOGUE AND USE THEREOF Zhejiang Beta Pharma Inc. (CN) 2013-03-06 EP disclosed
US-8039532-B2 Heterocyclic compound, ultraviolet absorbent and composition containing the same FUJIFILM CORPORATION (JP) 2011-10-18 US disclosed
EP-2223909-A1 Process for preparing pentanoic diacid derivatives Ratiopharm GmbH (DE) 2010-09-01 EP disclosed
US-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME FUJIFILM CORPORATION (JP) 2010-08-19 US disclosed
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
WO-2009027081-A2 PROCESS FOR PREPARING PENTANOIC DIACID DERIVATIVES RATIOPHARM GMBH (DE) 2009-03-05 WO disclosed
US-20080234464-A1 Compound Having Amino Acid Residue or Peptide Residue and Process for Producing the Same CREDIA JAPAN CO., LTD. (JP) 2008-09-25 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 (5 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-20100210762-A1 HETEROCYCLIC COMPOUND, ULTRAVIOLET ABSORBENT AND COMPOSITION CONTAINING THE SAME F12, F2, CYP24A1 ALDH1A1 1492/4885MAPT 4121/4885KDM4E 3903/4885
US-20090240067-A1 METHOD OF PRODUCING A BISBENZODITHIOL COMPOUND SQOR, NQO1, PBRM1 ALDH1A1 739/4885MAPT 3419/4885KDM4E 3362/4885
US-20230270825-A1 STAPLED OLEFIN CO-AGONISTS OF THE GLUCAGON AND GLP-1 RECEPTORS GLP1R, GIPR, GCGR ALDH1A1 2572/4885MAPT 3891/4885KDM4E 4100/4885
US-20080234464-A1 Compound Having Amino Acid Residue or Peptide Residue and Process for Producing the Same NGLY1, ELOVL6, ELOVL1 ALDH1A1 3518/4885MAPT 3234/4885KDM4E 1796/4885
US-20140235446-A1 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS DDT, CYP1A1, CYP4Z1 ALDH1A1 114/4885MAPT 4341/4885KDM4E 1441/4885

“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.