SCHEMBL23558336

SCHEMBL23558336

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc5ccoc5c4)co3)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ MMP13 P45452 8/20 0.33
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ PTGES O14684 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL23558300 0.83 PPM1D (0.37) CNR1CNR2ACACBMMP13
SCHEMBL25863741 0.79 ACACB (0.37) CNR1CNR2ACACBMMP13HSD17B1
SCHEMBL25856816 0.79 ACACB (0.35) CNR1CNR2ACACBHSD17B1HSD17B2
SCHEMBL23524256 0.71 MAPT (0.47) CNR1CNR2MAPT
SCHEMBL30355725 0.71 PPARA (0.37) CNR1CNR2MAPT
SCHEMBL30355367 0.71 MAPT (0.47) CNR1CNR2MAPT
SCHEMBL23524175 0.71 PPARA (0.37) CNR1CNR2MAPT
SCHEMBL25856660 0.71 CNR1 (0.39) CNR1CNR2MAPT
SCHEMBL23558458 0.71 MMP13 (0.40) ACACBMMP13HSD17B1HSD17B2ENPP3
SCHEMBL23558464 0.70 ACACB (0.37) ACACBHSD17B1HSD17B2ENPP3ENPP1

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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885ACACB 3779/4885

“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.

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