SCHEMBL23558452

SCHEMBL23558452

CCC1(CC)CC(=O)c2cc(C3=CN=C(c4ccccc4O)C3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 7/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ SMN1; SMN2 Q16637 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ EPHX2 P34913 2/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ KLK7 P49862 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ GAA P10253 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ GLA P06280 2/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ MEN1 O00255 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
SCHEMBL25856972 0.89 CNR1 (0.40) CNR1CNR2MAPTKDM4EKMT2A
SCHEMBL25856763 0.80 KDM4E (0.37) CNR1CNR2MAPTKDM4EEPHX2
SCHEMBL25863948 0.79 CNR1 (0.42) CNR1CNR2MAPTKDM4EKMT2A
SCHEMBL30355558 0.77 CASP3 (0.44) CNR1CNR2MAPTKDM4EKMT2A
SCHEMBL25856895 0.77 RAB9A (0.42) CNR1CNR2MAPTKMT2ASMN1; SMN2
SCHEMBL23523782 0.77 CASP3 (0.44) CNR1CNR2MAPTKDM4EKMT2A
SCHEMBL25856843 0.74 CNR1 (0.40) CNR1CNR2MAPTKDM4EKMT2A
SCHEMBL23558330 0.73 RAB9A (0.40) CNR1CNR2MAPTKMT2ASMN1; SMN2
SCHEMBL23558315 0.73 CHUK (0.45) CNR1CNR2MAPTKDM4EKMT2A
SCHEMBL25856770 0.71 CNR1 (0.40) CNR1CNR2MAPTKDM4EKMT2A

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 38/4885MAPT 3799/4885

“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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