SCHEMBL4330604

SCHEMBL4330604

Oc1ccc(OCc2nc3ccccc3s2)cc1C1(c2ccccc2)CCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 9/20 0.65
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 4/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX5 P09917 3/20 0.48
EPHX2 P34913 3/20 0.48
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4319036 0.90 ALOX5AP (0.65) ALOX5APNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL3572346 0.79 ALOX5AP (0.72) ALOX5APALOX5
SCHEMBL4456510 0.78 ALOX5AP (0.74) ALOX5APNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8921057 0.73 NPC1 (0.57) ALOX5APNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4317905 0.73 ALOX5AP (0.80) ALOX5APALOX5
SCHEMBL10682657 0.73 NPC1 (0.63) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
2-(Phenoxymethyl)Benzothiazole SCHEMBL2245843 0.72 NPC1 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL8925380 0.72 NPC1 (0.56) NPC1RAB9ASMN1; SMN2L3MBTL1MAPK1
SCHEMBL4324949 0.71 ALOX5AP (0.76) ALOX5APALOX5
SCHEMBL4057347 0.70 ALOX5AP (0.55) ALOX5APKMT2AALDH1A1MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 US disclosed
US-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use MERCK SHARP & DOHME CORP. 2009-08-06 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-20090197883-A1 Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use ALOX5, LTC4S, ALOX15B ALOX5AP 16/4885NPC1 450/4885RAB9A 4474/4885

“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.