SCHEMBL25856900

SCHEMBL25856900

CCC1(CC)CC(=O)c2cc(-c3cc(-c4cccc(C)c4)no3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.43
▸ PGR P06401 1/20 0.43
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ TP53 P04637 3/20 0.36
▸ ATM Q13315 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL23558461 0.90 NPC1 (0.45) MAOBNPC1RAB9ACASP3SENP8
SCHEMBL23558238 0.87 ALDH1A1 (0.45) MAOBNPC1RAB9AKDM4ETP53
SCHEMBL25863238 0.87 CXCR1 (0.40) MAOBNPC1RAB9ATP53CNR1
SCHEMBL25856856 0.85 NPC1 (0.43) MAOBNPC1RAB9ACASP3SENP8
SCHEMBL23524132 0.84 GAA (0.54) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL30355549 0.84 GAA (0.54) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL25856949 0.83 CNR1 (0.41) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL25856895 0.82 RAB9A (0.42) NPC1RAB9ATP53ATMCNR1
SCHEMBL25856945 0.82 PGR (0.45) MAOBPGRKDM4EATMCNR1
SCHEMBL25863749 0.82 ABCB1 (0.35) CNR1CNR2ABCB1ABCC1

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 MAOB 3653/4885PGR 1551/4885NPC1 301/4885

“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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