SCHEMBL15085808

SCHEMBL15085808

Cc1cccc(OCCC(C)(C)C)c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.59
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
MCHR1 Q99705 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR1A P08908 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 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
SCHEMBL13024208 0.90 MCHR1 (0.53) HTR1BMAPTKDM4EGAAMCHR1
SCHEMBL16687678 0.86 HTR1B (0.56) HTR1BMAPTKDM4EGAASMN1; SMN2
SCHEMBL15058556 0.85 ALDH1A1 (0.50) MAPTKDM4EMCHR1SMN1; SMN2KMT2A
SCHEMBL29690501 0.85 ALDH1A1 (0.50) MAPTKDM4EMCHR1SMN1; SMN2KMT2A
SCHEMBL5929458 0.84 HTR1B (0.71) HTR1BMAPTKDM4EGAASMN1; SMN2
SCHEMBL13449770 0.80 IDO1 (0.54) MAPTKDM4EGAAMCHR1SMN1; SMN2
SCHEMBL7216294 0.79 HTR1B (0.65) HTR1BMAPTKDM4EGAASMN1; SMN2
SCHEMBL10202943 0.79 ALDH1A1 (0.47) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL10714769 0.77 HTR1B (0.50) HTR1BMAPTKDM4EGAASMN1; SMN2
SCHEMBL7415579 0.77 HTR1B (0.62) HTR1BMAPTKDM4EGAASMN1; SMN2

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-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT ALLERGAN, INC. (US) 2013-07-04 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-20130172342-A1 BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT SCN1B, SCN2B, SCN1A HTR1B 858/4885MAPT 1903/4885KDM4E 2165/4885

“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.