SCHEMBL13873005

SCHEMBL13873005

CC(C)Cc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
PTGS2 P35354 2/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
MC4R P32245 4/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGS1 P23219 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TACR1 P25103 1/20 0.39
DPP4 P27487 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL4630258 0.84 KMT2A (0.60) KMT2AGABRA1GABRB2SLC6A4DPP4
SCHEMBL8632293 0.83 KMT2A (0.46) KMT2AGABRA1GABRB2
SCHEMBL12585106 0.81 KMT2A (0.44) KMT2APTGS2GABRA1GABRB2MC4R
SCHEMBL8492143 0.81 GABRA1 (0.52) KMT2AGABRA1GABRB2DPP4KCNA5
SCHEMBL9394493 0.80 KMT2A (0.47) KMT2AGABRA1GABRB2DPP4KCNA5
SCHEMBL197723 0.80 GABRA1 (0.56) KMT2AGABRA1GABRB2CTSSCTSK
SCHEMBL11731370 0.79 KMT2A (0.42) KMT2AGABRA1GABRB2DPP4KCNA5
SCHEMBL1038470 0.79 HTR2C (0.44) KMT2APTGS2MC4RSLC6A4SLC6A3
SCHEMBL29655939 0.79 PTGS2 (0.52) KMT2APTGS2SLC6A4SLC6A3PTGS1
SCHEMBL12806496 0.79 PTGS2 (0.52) KMT2APTGS2SLC6A4SLC6A3PTGS1

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
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 EP disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 KMT2A 3145/4885PTGS2 85/4885GABRA1 3607/4885

“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.