SCHEMBL25856526

SCHEMBL25856526

C=C1CC(CC)(CC)Oc2ccc(-c3cc(-c4ccc5c(c4)C=C(C)C5)no3)cc21

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.32
▸ ABCC1 P33527 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ CXCR1 P25024 1/20 0.31
▸ S1PR1 P21453 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
SCHEMBL23558395 0.80 ABCB1 (0.38) ABCB1ABCC1NPC1RAB9AS1PR1
SCHEMBL25856900 0.73 MAOB (0.43) ABCB1ABCC1NPC1CASP3RAB9A
SCHEMBL25863749 0.73 ABCB1 (0.35) ABCB1ABCC1S1PR1
SCHEMBL23558461 0.72 NPC1 (0.45) ABCB1ABCC1NPC1CASP3RAB9A
SCHEMBL25856856 0.70 NPC1 (0.43) ABCB1ABCC1NPC1CASP3RAB9A
SCHEMBL25863238 0.69 CXCR1 (0.40) ABCB1ABCC1NPC1RAB9ACXCR1
SCHEMBL23558238 0.69 ALDH1A1 (0.45) NPC1RAB9ACXCR1
SCHEMBL25856949 0.68 CNR1 (0.41) ABCB1ABCC1NPC1CASP3RAB9A
SCHEMBL25856895 0.67 RAB9A (0.42) ABCB1ABCC1NPC1RAB9ACXCR1
SCHEMBL25856883 0.64 S1PR1 (0.37) NPC1RAB9ACXCR1S1PR1

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 ABCB1 3052/4885ABCC1 2927/4885NPC1 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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