SCHEMBL2822182

SCHEMBL2822182

OCc1cnn(Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.48
SCD5 Q86SK9 1/20 0.48
ADORA2B P29275 11/20 0.47
ADORA2A P29274 7/20 0.47
ADORA1 P30542 6/20 0.47
ADORA3 P0DMS8 6/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
POLB P06746 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43

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
SCHEMBL28650337 0.89 SCD5 (0.46) ALKSCD5ADORA2BADORA2AADORA1
Hydrochloric Acid SCHEMBL30744520 0.85 MAOB (0.49) ALKSCD5ADORA2BADORA2AADORA1
Hydrochloric Acid SCHEMBL21492794 0.85 MAOB (0.49) ALKSCD5ADORA2BADORA2AADORA1
SCHEMBL24214370 0.82 ALDH1A1 (0.55) ALKSCD5ADORA2BADORA2AADORA1
SCHEMBL3609013 0.82 MEN1 (0.59) ALKSCD5ADORA2BADORA2AADORA1
SCHEMBL30376503 0.82 ALDH1A1 (0.55) ALKSCD5ADORA2BADORA2AADORA1
SCHEMBL243561 0.80 POLB (0.56) SCD5ADORA2BADORA2AADORA1ADORA3
SCHEMBL12003036 0.79 MAOB (0.51) SCD5ADORA2BADORA2AADORA1ADORA3
SCHEMBL23045648 0.78 SCD5 (0.53) ALKSCD5ADORA2BADORA2AADORA1
SCHEMBL4766057 0.78 ADORA2B (0.48) ALKSCD5ADORA2BADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG ALK 3428/4885SCD5 420/4885ADORA2B 1077/4885

“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.