SCHEMBL1027681

SCHEMBL1027681

CCCC(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.34
CCR2 P41597 2/20 0.34
HSD17B10 Q99714 1/20 0.33
NLRP3 Q96P20 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 1/20 0.30
PRKCA P17252 1/20 0.30

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
SCHEMBL1028333 0.91 ABL1 (0.37) CCR1CCR2PRKCA
SCHEMBL1027865 0.87 ALDH1A1 (0.35) CCR1CCR2ALDH1A1CYP1A2HPGD
SCHEMBL1027562 0.80 SLC25A5 (0.36)
SCHEMBL1026541 0.79 NPC1 (0.42) ALDH1A1HPGDCYP2C19
SCHEMBL1026383 0.78 SLC6A1 (0.31) CCR1CCR2
SCHEMBL1028803 0.78 PPM1B (0.35) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL1029070 0.78 GRM4 (0.47) HSD17B10ALDH1A1HPGD
SCHEMBL1025474 0.77 TAAR1 (0.35) HSD17B10
SCHEMBL1026621 0.77 GSK3A (0.41) HSD17B10ALDH1A1HPGD
SCHEMBL1028998 0.76 POLB (0.45) ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479669-B1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography TOSOH CORP (JP) 2011-01-19 EP disclosed
US-7645889-B2 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2010-01-12 US disclosed
US-20080230482-A1 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2008-09-25 US disclosed
US-7381742-B2 Optically active polymaleimide derivatives and process for their production TOSOH CORPORATION (JP) 2008-06-03 US disclosed
US-20070131616-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2007-06-14 US disclosed
US-7186750-B2 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2007-03-06 US disclosed
US-20040235937-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them TOSOH CORPORATION (JP) 2004-11-25 US disclosed
EP-1479669-A1 Optically active maleimide derivatives and polymaleimides for use as chiral adsorbent in chromatography Tosoh Corporation (JP) 2004-11-24 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-20080230482-A1 Optically active polymaleimide derivatives and process for their production CYBA, COASY, MEP1B CCR1 4820/4885CCR2 4559/4885HSD17B10 1179/4885
US-20040235937-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them MACF1, MEP1B, CYBA CCR1 4842/4885CCR2 4743/4885HSD17B10 2109/4885
US-20070131616-A1 Optically active maleimide derivatives, optically active polymaleimide derivatives, process for their production, separating media comprising the optically active polymaleimide derivatives and method of separating optically active compounds using them MACF1, MEP1B, ACMSD CCR1 4850/4885CCR2 4731/4885HSD17B10 2051/4885

“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.