SCHEMBL12430909

SCHEMBL12430909

CC(=O)C#Cc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.46
KCNH2 Q12809 1/20 0.46
FFAR1 O14842 1/20 0.44
GRM5 P41594 2/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
IKBKB O14920 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.37
NTSR1 P30989 1/20 0.37
POLB P06746 1/20 0.35
HSD17B2 P37059 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL27343866 0.83 KCNH2 (0.48) PTGDR2KCNH2FFAR1GRM5CYP3A4
SCHEMBL3468255 0.82 PTGDR2 (0.51) PTGDR2KCNH2FFAR1GRM5CES2
SCHEMBL17493233 0.80 PTGDR2 (0.50) PTGDR2KCNH2FFAR1GRM5CES2
SCHEMBL852910 0.79 PTGDR2 (0.46) PTGDR2KCNH2FFAR1GRM5CYP3A4
SCHEMBL533852 0.78 ALDH1A1 (0.40) CES2CES1ALDH1A1POLB
SCHEMBL12430910 0.78 FFAR1 (0.45) FFAR1GRM5IKBKBALDH1A1HSP90AA1
SCHEMBL9189694 0.77 HSP90AA1 (0.64) PTGDR2KCNH2FFAR1CES2CES1
SCHEMBL31614587 0.77 HSP90AA1 (0.64) PTGDR2KCNH2FFAR1CES2CES1
SCHEMBL28722215 0.76 GRM5 (0.44) PTGDR2FFAR1GRM5CES2CES1
SCHEMBL4637931 0.75 PTGDR2 (0.47) PTGDR2KCNH2FFAR1GRM5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790654-A Anti-static wool fabric and preparation method thereof 陈琳 2022-07-26 CN claimed
CN-114790654-A Anti-static wool fabric and preparation method thereof 陈琳 2022-07-26 CN disclosed
EP-1741693-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS NAGOYA IND SCIENCE RES INST (JP) 2011-08-03 EP disclosed
US-20070225528-A1 Process for Producing Optically Active Alcohol NAGOYA INDUSTRIAL SCIENCE RESEARCH CENTER (JP) 2007-09-27 US disclosed
EP-1741693-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALCOHOLS Nagoya Industrial Science Research Institute (JP) 2007-01-10 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 (1 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-20070225528-A1 Process for Producing Optically Active Alcohol ADH1C, ADH1A, ADH5 PTGDR2 1867/4885KCNH2 611/4885FFAR1 2540/4885

“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.