SCHEMBL2048620

SCHEMBL2048620

[CH2]CCCc1ccc2cccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
KMT2A Q03164 1/20 0.39
PTGER1 P34995 3/20 0.38
PTGER4 P35408 3/20 0.38
PTGER3 P43115 3/20 0.38
PTGER2 P43116 3/20 0.38
FOLH1 Q04609 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP2A6 P11509 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
SCHEMBL3026186 0.94 DPP4 (0.52) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL5548261 0.88 DPP4 (0.50) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL3128303 0.88 DPP4 (0.48) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL5541755 0.86 DPP4 (0.48) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL5538023 0.81 DPP4 (0.56) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL7653224 0.81 DPP4 (0.34) DPP4KMT2APDCD1CD274ALDH1A1
SCHEMBL12506252 0.81 DPP4 (0.60) DPP4KMT2APTGER1PTGER4PTGER3
SCHEMBL3119926 0.79 DPP4 (0.52) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL10802840 0.78 PPARA (0.46) DPP4CA12CA1CA2CA7
SCHEMBL10802846 0.78 PPARA (0.46) DPP4CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988071-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOL Kotobuki Pharmaceutical Co., Ltd. (JP) 2008-11-05 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-20090062527-A1 Process for Preparing Optically Active Alcohols ADH1C, ADH1A, ADH5 DPP4 3630/4885KMT2A 701/4885PTGER1 2475/4885

“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.