SCHEMBL5631997

SCHEMBL5631997

OCCCNCc1cc(C(F)(F)F)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
SCN8A Q9UQD0 3/20 0.39
CES2 O00748 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRD5A2 P31213 1/20 0.38
SCN9A Q15858 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36
S1PR4 O95977 1/20 0.34
S1PR5 Q9H228 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL5678083 0.88 KDM4E (0.40) KDM4EALOX5APFEN1SCN8ACES2
SCHEMBL18002039 0.78 CES2 (0.43) CES2SRD5A2CYP3A4CYP2D6
SCHEMBL7798485 0.75 CDK1 (0.54) CES2ALDH1A1MEN1KMT2ASRD5A2
SCHEMBL22717044 0.75 CES2 (0.47) CES2SRD5A2CYP3A4CYP2D6
SCHEMBL2000882 0.75 CES2 (0.50) CES2SRD5A2CYP3A4CYP2D6
SCHEMBL7986683 0.74 SCN8A (0.56) KDM4ESCN8AALDH1A1
SCHEMBL4240375 0.74 ALOX5AP (0.46) ALOX5APFEN1ALDH1A1KMT2ASCN9A
SCHEMBL5325645 0.74 SLC6A4 (0.54) CES2SRD5A2CYP3A4CYP2D6
SCHEMBL26012535 0.73 MPO (0.59) KDM4ECYP2D6
SCHEMBL4256377 0.72 RHOC (0.57) KDM4ESCN8AMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders KALYPSYS, INC. 2007-09-06 US disclosed
WO-2004092130-A2 N-CONTAINING HETEROAROMATIC COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2004-10-28 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-20070208026-A1 N-Containing Heteroaromatic Compounds As Modulators Of Ppars And Methods Of Treating Metabolic Disorders PPARG, PPARA, PPARD KDM4E 3794/4885ALOX5AP 1581/4885FEN1 3031/4885

“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.