SCHEMBL1478285

SCHEMBL1478285

C=CCN(C=CC(=O)OCC)CC=C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.52
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ALOX15 P16050 1/20 0.35
TTR P02766 1/20 0.35
DPP4 P27487 1/20 0.35
ATM Q13315 1/20 0.34
LMNA P02545 1/20 0.33
MDM2 Q00987 1/20 0.33
CYP3A4 P08684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL9615428 0.83 MAPT (0.49) HCAR2MAPTALDH1A1CYP3A4CACNA1B
SCHEMBL1871206 0.80 HCAR2 (0.54) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL1406159 0.80 HCAR2 (0.54) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL28831576 0.77 HCAR2 (0.50) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL10778186 0.76 HCAR2 (0.55) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL28127613 0.75 HCAR2 (0.57) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL5443165 0.74 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8354202 0.74 HCAR2 (0.56) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL286141 0.74 HCAR2 (0.56) HCAR2MAPTALDH1A1CA12CA1
SCHEMBL5443169 0.74 ALDH1A1 (0.38) ALDH1A1

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-7915418-B2 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-29 US disclosed
US-20060135775-A1 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1632482-A1 INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE QUINOLONECARBOXYLIC ACID DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-03-08 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-20060135775-A1 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives NQO2, COASY, DHPS HCAR2 643/4885MAPT 4315/4885ALDH1A1 883/4885

“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.