SCHEMBL15086403

SCHEMBL15086403

CCCOc1cc(C)ccc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
NPBWR1 P48145 1/20 0.62
MCHR1 Q99705 1/20 0.62
KDM4E B2RXH2 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ATM Q13315 4/20 0.53
TSHR P16473 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL25484229 0.91 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL31039463 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL8246277 0.87 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL9945954 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL14970554 0.84 ALDH1A1 (0.85) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL6481497 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL9500070 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL1913594 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL23611294 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E
SCHEMBL19000487 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPBWR1MCHR1KDM4E

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-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 US disclosed
WO-2013101926-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 WO 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-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, SCN2B, SCN1A ALDH1A1 942/4885SMN1; SMN2 220/4885NPBWR1 631/4885

“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.