SCHEMBL7990214

SCHEMBL7990214

COCCCCc1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
IDO1 P14902 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.44
FDPS P14324 1/20 0.43
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NAAA Q02083 1/20 0.41
DAO P14920 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL7989614 0.98 TAAR1 (0.52) TAAR1ALDH1A1CYP2D6IDO1HRH3
SCHEMBL8000063 0.98 TAAR1 (0.52) TAAR1ALDH1A1CYP2D6IDO1HRH3
SCHEMBL7998439 0.98 TAAR1 (0.52) TAAR1ALDH1A1CYP2D6IDO1HRH3
SCHEMBL12136331 0.94 TAAR1 (0.55) TAAR1ALDH1A1CYP2D6IDO1HRH3
SCHEMBL10204841 0.86 TAAR1 (0.59) TAAR1ALDH1A1CYP2D6IDO1HRH3
SCHEMBL8092500 0.86 TAAR1 (0.68) TAAR1IDO1HRH3FDPSNAAA
SCHEMBL15432887 0.84 TAAR1 (0.49) TAAR1ALDH1A1CYP2D6IDO1HRH3
SCHEMBL8086943 0.84 TAAR1 (0.65) TAAR1IDO1HRH3FDPSNAAA
SCHEMBL8094389 0.84 TAAR1 (0.65) TAAR1IDO1HRH3FDPSNAAA
SCHEMBL8092438 0.84 TAAR1 (0.65) TAAR1IDO1HRH3FDPSNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
WO-2009117594-A1 FLUORINATED MACROCYCLIC COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-09-24 WO disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 TAAR1 615/4885ALDH1A1 1805/4885CYP2D6 578/4885

“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.