SCHEMBL1808181

SCHEMBL1808181

[O]CCCc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.57
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
ACLY P53396 3/20 0.48
CNR1 P21554 1/20 0.45
GGPS1 O95749 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
DAO P14920 1/20 0.44
NAAA Q02083 1/20 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
SCHEMBL1802626 0.94 ACLY (0.50) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL1805717 0.87 IDO1 (0.56) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11621292 0.82 IDO1 (0.65) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL7988972 0.81 IDO1 (0.54) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11390275 0.80 ACLY (0.49) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL27454018 0.80 ACLY (0.59) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL6681310 0.79 IDO1 (0.52) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL585759 0.79 IDO1 (0.52) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11279910 0.79 IDO1 (0.52) IDO1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL895036 0.79 IDO1 (0.52) IDO1CYP1A2CYP3A4CYP2C9MAPK1

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 IDO1 3306/4885CYP1A2 360/4885CYP3A4 1029/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 IDO1 3306/4885CYP1A2 360/4885CYP3A4 1029/4885
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 IDO1 306/4885CYP1A2 487/4885CYP3A4 1680/4885

“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.