SCHEMBL147688

SCHEMBL147688

COC(=O)C=CC(C)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.45
MME P08473 1/20 0.44
FOLH1 Q04609 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARA Q07869 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL122159 1.00 CTSL (0.46) CTSLHTTMAPTMMEFOLH1
SCHEMBL23009196 0.84 SLC1A1 (0.48) CTSLHTTMAPTMMEFOLH1
Hydrochloric Acid SCHEMBL29659070 0.83 SLC1A1 (0.47) CTSLHTTMAPTMMEFOLH1
Hydrochloric Acid SCHEMBL25295973 0.83 SLC1A1 (0.47) CTSLHTTMAPTMMEFOLH1
Hydrochloric Acid SCHEMBL25295972 0.83 SLC1A1 (0.47) CTSLHTTMAPTMMEFOLH1
SCHEMBL11186694 0.82 CTSL (0.48) CTSLKMT2AALDH1A1
SCHEMBL2351295 0.79 CTSL (0.47) CTSLMAPTKMT2AMMP9SLC1A1
SCHEMBL3941740 0.79 CTSL (0.43) CTSLHTTMAPTMMEHCAR2
SCHEMBL3941742 0.79 CTSL (0.43) CTSLHTTMAPTMMEHCAR2
SCHEMBL3941734 0.79 CTSL (0.43) CTSLHTTMAPTMMEHCAR2

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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
EP-2406251-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO 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-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 CTSL 3181/4885HTT 3876/4885MAPT 4530/4885

“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.