SCHEMBL25855632

SCHEMBL25855632

OCC1CCCN(c2ccc(OCc3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PRMT5 O14744 1/20 0.47
ACACB O00763 1/20 0.47
SPHK2 Q9NRA0 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
HRH3 Q9Y5N1 3/20 0.46
HTT P42858 2/20 0.46
LTA4H P09960 3/20 0.46
EPHX2 P34913 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL21136655 0.88 SPHK2 (0.50) NPC1RAB9ASPHK2HRH3SMN1; SMN2
SCHEMBL28104260 0.85 NPC1 (0.55) NPC1RAB9AACACBHRH3HTT
SCHEMBL25169916 0.84 LTA4H (0.54) NPC1RAB9AACACBHTTLTA4H
SCHEMBL21135447 0.82 CYP2D6 (0.52) NPC1RAB9AHTTEPHX2SMN1; SMN2
SCHEMBL6648521 0.82 CYP2D6 (0.52) NPC1RAB9AHTTEPHX2SMN1; SMN2
SCHEMBL21135739 0.82 CYP2D6 (0.52) NPC1RAB9AHTTEPHX2SMN1; SMN2
SCHEMBL27473865 0.82 HRH3 (0.54) NPC1RAB9AACACBHRH3HTT
SCHEMBL16046663 0.79 LTA4H (0.62) NPC1RAB9AHRH3HTTLTA4H
SCHEMBL21135455 0.79 MAPT (0.53) HTTKDM4EALDH1A1NPSR1L3MBTL1
SCHEMBL25855629 0.78 ESR1 (0.45) HTT

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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP NPC1 1558/4885RAB9A 1475/4885PRMT5 1644/4885

“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.