SCHEMBL21157731

SCHEMBL21157731

COc1ccc(-c2ccc(OCCCC(C)C)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP2A6 P11509 1/20 0.44
ACACB O00763 9/20 0.43
ACACA Q13085 6/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL16479603 0.84 CYP2D6 (0.58) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL21156450 0.82 RARB (0.51) RARBCYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL17795420 0.82 CYP2D6 (0.55) RARBMKNK1MKNK2HSD17B1HSD17B2
SCHEMBL21156921 0.81 NAAA (0.45) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL13526846 0.81 MKNK1 (0.47) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL1422493 0.77 MKNK1 (0.59) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL13251236 0.77 TDP1 (0.55) RARBTDP1
SCHEMBL21157729 0.77 RARB (0.52) RARBCYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL21156862 0.77 CYP19A1 (0.73) RARBMKNK1MKNK2CYP2A6CYP3A4
SCHEMBL13251245 0.76 RARB (0.62) RARBTDP1

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 RARB 3457/4885MKNK1 2558/4885MKNK2 2709/4885

“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.