SCHEMBL17038792

SCHEMBL17038792

COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.75
ALDH1A1 P00352 1/20 0.75
TP53 P04637 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
TSHR P16473 1/20 0.75
CNR2 P34972 1/20 0.75
RECQL P46063 1/20 0.75
TDP1 Q9NUW8 1/20 0.75

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
SCHEMBL17035910 1.00 CNR1 (0.75) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL17035902 0.94 CNR1 (0.73) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10665988 0.89 CNR1 (0.85) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL15126343 0.87 CNR1 (0.81) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL10460131 0.86 CNR1 (0.80) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL2545822 0.85 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL29385060 0.85 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9690612 0.85 CNR1 (0.77) CNR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL9691060 0.83 CNR1 (0.75) CNR1ALDH1A1TP53CYP1A2CYP3A4
Pravadoline SCHEMBL30353006 0.83 CNR1 (1.00) CNR1ALDH1A1TP53CYP1A2CYP3A4

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-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE UNIVERSITY OF OSLO (NO) 2015-08-27 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-20150239796-A1 ONE POT SYNTHESIS OF 18F LABELEDTRIFLUOROMETHYLATED COMPOUNDS WITH DIFLUORO(IODO)METHANE FLI1, AFF1, CYP2F1 CNR1 926/4885ALDH1A1 293/4885TP53 589/4885

“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.