SCHEMBL3323243

SCHEMBL3323243

COC(=O)c1cnc(OCCOc2cc(F)ccc2Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 1/20 0.40
SCD O00767 3/20 0.40
SCD5 Q86SK9 1/20 0.40
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 1/20 0.36
PKM P14618 1/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 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
SCHEMBL3323446 0.86 SIRT6 (0.43) FFAR4FFAR1SCDSCD5TMEM97
SCHEMBL3105760 0.78 SCD (0.50) FFAR4FFAR1SCDSCD5
SCHEMBL21906327 0.74 HSPB1 (0.51) MAPK1
SCHEMBL2107109 0.74 MAPK1 (0.44) TMEM97SIGMAR1MAPK1
SCHEMBL3322147 0.73 SCD (0.36) FFAR4FFAR1SCDSCD5
SCHEMBL21906516 0.73 OXTR (0.47) MAPK1OXTRAVPR1A
SCHEMBL24214118 0.72 GABRA1 (0.40) MAPK1
SCHEMBL2160557 0.72 SCD (0.50) SCDSCD5
SCHEMBL4498412 0.71 SCD (0.61) SCDSCD5
SCHEMBL991518 0.71 MAPK1 (0.46) MAPK1PKM

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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 FFAR4 335/4885FFAR1 240/4885SCD 1/4885

“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.