SCHEMBL12572575

SCHEMBL12572575

CC(=O)C/C=C/CC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
ALOX15 P16050 2/20 0.47
CYP2D6 P10635 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
TRPA1 O75762 1/20 0.41
LMNA P02545 3/20 0.36
SLC15A2 Q16348 1/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
CA1 P00915 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL18868445 1.00 ALDH1A1 (0.47) ALDH1A1ALOX15CYP2D6TDP1TRPA1
SCHEMBL18489326 0.87 ALDH1A1 (0.71) ALDH1A1ALOX15CYP2D6TDP1TRPA1
SCHEMBL839630 0.87
SCHEMBL839631 0.87
SCHEMBL801900 0.87
SCHEMBL13800918 0.85 ALDH1A1 (0.36) ALDH1A1ALOX15CYP2D6TDP1TRPA1
SCHEMBL5639259 0.85
SCHEMBL5639261 0.85
SCHEMBL17207269 0.85
SCHEMBL2619425 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364183-A1 CARTILAGE-HOMING PEPTIDES FRED HUTCHINSON CANCER CENTER 2023-11-16 US disclosed
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-07-31 US disclosed
US-9346852-B2 Substituted adipic acid amides and uses thereof BRISTOL-MYERS SCUIBB COMPANY (US) 2016-05-24 US disclosed
US-7964640-B2 Oligomers of straight-chain and unbranched fatty acids and drugs containing these PLT PATENT & LICENSE TRADING LTD. (GB) 2011-06-21 US disclosed
US-20090012166-A1 Oligomers of Straight-Chain and Unbranched Fatty Acids and Drugs Containing These PLT PATENT & LICENSE TRADING S.L. (ES) 2009-01-08 US disclosed
EP-1283826-B1 A PROCESS FOR PREPARING CAROTENOID POLYENE CHAIN COMPOUNDS AND INTERMEDIATES FOR PREPARING THE SAME KOO SANGHO (KR) 2008-03-26 EP 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-20230364183-A1 CARTILAGE-HOMING PEPTIDES CXCL12, CCL2, MATR3 ALDH1A1 3797/4885ALOX15 4337/4885CYP2D6 4800/4885
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885ALOX15 2357/4885CYP2D6 4193/4885
US-20090012166-A1 Oligomers of Straight-Chain and Unbranched Fatty Acids and Drugs Containing These FASN, FFAR3, FFAR2 ALDH1A1 1610/4885ALOX15 51/4885CYP2D6 917/4885

“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.