SCHEMBL1804677

SCHEMBL1804677

[O]CCCCc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
IDO1 P14902 3/20 0.46
PNMT P11086 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
AOC3 Q16853 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
DAO P14920 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CHRM2 P08172 1/20 0.42
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7037671 0.98 TAAR1 (0.52) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1044927 0.93 TAAR1 (0.56) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1822278 0.86 TAAR1 (0.62) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL1046520 0.84 TAAR1 (0.60) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL29025294 0.83 TAAR1 (0.57) TAAR1IDO1PNMTSMN1; SMN2
SCHEMBL15352399 0.80 CYP1A2 (0.48) TAAR1PNMTSLC6A4
SCHEMBL6679839 0.80 TAAR1 (0.56) TAAR1IDO1PNMTSLC6A2SLC6A4
SCHEMBL15352087 0.79 CYP1A2 (0.46) TAAR1PNMTSLC6A4
SCHEMBL15353519 0.79 CYP1A2 (0.46) TAAR1PNMTSLC6A4
SCHEMBL8971799 0.78 TAAR1 (0.54) TAAR1IDO1PNMTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 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 (3 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 TAAR1 1102/4885IDO1 3306/4885PNMT 4500/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885IDO1 3306/4885PNMT 4500/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 TAAR1 1933/4885IDO1 306/4885PNMT 3255/4885

“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.