SCHEMBL20128537

SCHEMBL20128537

CCCCCCCc1cc(F)c(C2CC(C)(C)N(O)C(C)(C)C2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.41
PTGS2 P35354 3/20 0.40
CYP3A4 P08684 1/20 0.37
CNR1 P21554 4/20 0.37
CNR2 P34972 3/20 0.37
RARB P10826 2/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
OPRM1 P35372 1/20 0.34
SPHK1 Q9NYA1 2/20 0.34
GPR84 Q9NQS5 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
SCHEMBL20128418 0.89 ACE2 (0.31) ACE2CNR1CNR2
SCHEMBL20126356 0.76 PKM (0.30)
SCHEMBL20126359 0.72 RARB (0.43) CNR2RARBRARARARGSPHK1
SCHEMBL21236031 0.71 SPHK1 (0.46) SPHK1
SCHEMBL20128534 0.70
SCHEMBL18891839 0.68 PTGS2 (0.55) PTGS2CYP3A4RARBRARARARG
SCHEMBL8650866 0.68 PTGS2 (0.36) ACE2PTGS2CYP3A4CNR1CNR2
SCHEMBL20128695 0.67 CHKA (0.40) CYP3A4CNR1CNR2RARB
SCHEMBL8885212 0.66 PTGS2 (0.61) PTGS2CYP3A4RARBRARARARG
SCHEMBL20126366 0.66 SKP2 (0.37) CNR2SPHK1

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 ACE2 3082/4885PTGS2 1129/4885CYP3A4 537/4885

“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.