SCHEMBL3282108

SCHEMBL3282108

CCc1cc(C(F)(F)F)n(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 3/20 0.39
BRAF P15056 1/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PTGS2 P35354 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL28051414 0.84 CNR1 (0.41) CNR1CNR2ALDH1A1CYP1A2MAPK1
SCHEMBL1981062 0.84 CA1 (0.43) PTGS1CNR1CNR2ALDH1A1CYP1A2
SCHEMBL3900724 0.84 PTGS1 (0.43) PTGS1CNR1CNR2ALDH1A1CYP1A2
SCHEMBL23611811 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1HTTMEN1KMT2A
SCHEMBL3281219 0.78 MAPK1 (0.56) PTGS1ALDH1A1CYP1A2MAPK1L3MBTL1
SCHEMBL3390256 0.77 PKM (0.46) PTGS1ALDH1A1CYP1A2SMN1; SMN2NPC1
SCHEMBL9966162 0.76 LMNA (0.45) CNR1CNR2ALDH1A1CYP1A2MAPK1
SCHEMBL28729848 0.76 CNR1 (0.45) CNR1CNR2ALDH1A1CYP1A2MAPK1
SCHEMBL7570850 0.76 PTGS1 (0.65) PTGS1ALDH1A1CYP1A2L3MBTL1PTGS2
SCHEMBL21849180 0.75 GRN (0.56) PTGS1ALDH1A1SMN1; SMN2PTGS2

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-7705041-B2 Inhibitors of 15-hydroxyprostaglandin dehydrogenase for stimulating pigmentation of the skin or skin appendages L'OREAL (FR) 2010-04-27 US disclosed
US-20060034786-A1 Inhibitors of 15-hydroxyprostaglandin dehydrogenase for stimulating pigmentation of the skin or skin appendages L'OREAL (FR) 2006-02-16 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-20060034786-A1 Inhibitors of 15-hydroxyprostaglandin dehydrogenase for stimulating pigmentation of the skin or skin appendages COX15, HPGD, TYR PTGS1 14/4885CNR1 3036/4885CNR2 1793/4885

“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.