SCHEMBL25856811

SCHEMBL25856811

CCC1(CC)CC(=O)c2cc(C3=CC(c4ccccc4OC)=CC3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PTPRC P08575 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ CTSD P07339 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ KLK7 P49862 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ PPIB P23284 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ CTSG P08311 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
SCHEMBL25856728 0.82 KDM4E (0.39) CNR1CNR2L3MBTL1KDM4EHPGD
SCHEMBL25856719 0.81 ATM (0.39) CNR1CNR2L3MBTL1KDM4EHPGD
SCHEMBL25856903 0.80 PGR (0.38) CNR1CNR2KDM4EHPGDHSD17B10
SCHEMBL23523917 0.79 SMN1; SMN2 (0.55) L3MBTL1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL30355447 0.79 SMN1; SMN2 (0.55) L3MBTL1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL30355716 0.78 NPC1 (0.47) CNR1CNR2KDM4EHPGDHSD17B10
SCHEMBL23524423 0.78 CNR1 (0.40) CNR1CNR2PTPRCPTPN1L3MBTL1
SCHEMBL30355702 0.78 CNR1 (0.40) CNR1CNR2PTPRCPTPN1L3MBTL1
SCHEMBL23524076 0.78 NPC1 (0.47) CNR1CNR2KDM4EHPGDHSD17B10
SCHEMBL25856218 0.78 CNR1 (0.34) CNR1CNR2KDM4EMAPT

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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CNR1 20/4885CNR2 38/4885PTPRC 883/4885

“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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