SCHEMBL25856287

SCHEMBL25856287

CCC1(CC)CC(=O)c2cc(-c3noc(-c4ccccc4OC)n3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 12/20 0.51
▸ NPC1 O15118 11/20 0.51
▸ RAB9A P51151 10/20 0.51
▸ HSD17B10 Q99714 10/20 0.51
▸ TP53 P04637 9/20 0.51
▸ ALDH1A1 P00352 9/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ KMT2A Q03164 6/20 0.51
▸ HPGD P15428 4/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ KDM4E B2RXH2 9/20 0.47
▸ TSHR P16473 4/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ LMNA P02545 1/20 0.43

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
SCHEMBL30355447 0.92 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL23523917 0.92 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL25856896 0.87 MAPT (0.45) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL23524167 0.86 NPC1 (0.38) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL30355716 0.84 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL23524076 0.84 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL23524423 0.84 CNR1 (0.40) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL30355702 0.84 CNR1 (0.40) SMN1; SMN2NPC1RAB9AHSD17B10ALDH1A1
SCHEMBL30355598 0.84 NPC1 (0.57) SMN1; SMN2NPC1RAB9AHSD17B10TP53
SCHEMBL23524021 0.84 NPC1 (0.57) SMN1; SMN2NPC1RAB9AHSD17B10TP53

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 2 patents. 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
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 SMN1; SMN2 1320/4885NPC1 301/4885RAB9A 3056/4885

“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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