SCHEMBL162841

SCHEMBL162841

CSCC(Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
CPA1 P15085 7/20 0.61
CPA3 P15088 3/20 0.61
FOLH1 Q04609 3/20 0.61
CPB1 P15086 1/20 0.61
CPB2 Q96IY4 1/20 0.61
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
MME P08473 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.51
ANPEP P15144 1/20 0.50
RNPEP Q9H4A4 1/20 0.50
DNPEP Q9ULA0 1/20 0.50

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
SCHEMBL718627 0.84 CYP1A2 (0.50) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7273492 0.84 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6154521 0.84 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL838961 0.84 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7273483 0.84 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL838962 0.84 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL4664822 0.83 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
Hydrochloric Acid SCHEMBL6572923 0.82 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7290672 0.82 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7272157 0.82 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103188936-B Insecticidal composition DOW AGROSCIENCES LLC (US) 2016-04-20 CN disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-8604211-B2 Pesticidal compositions Dow AroSciecnes, LLC. (US) 2013-12-10 US disclosed
US-8501312-B2 Charging member CANON KABUSHIKI KAISHA (JP) 2013-08-06 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
CN-103188936-A Insecticidal composition DOW AGROSCIENCES LLC 2013-07-03 CN disclosed
US-20120141161-A1 CHARGING MEMBER CANON KABUSHIKI KAISHA (JP) 2012-06-07 US disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 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 (2 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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CYP1A2 1110/4885CPA1 1126/4885CPA3 551/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS CYP1A2 300/4885CPA1 740/4885CPA3 1152/4885

“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.