SCHEMBL4083760

SCHEMBL4083760

ClC=CCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.52
IDO1 P14902 4/20 0.52
CYP3A4 P08684 2/20 0.52
AGXT P21549 2/20 0.52
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
TAAR1 Q96RJ0 3/20 0.48
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
AOC3 Q16853 1/20 0.42

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
SCHEMBL11683135 0.87 MAOB (0.46) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL11683133 0.87 MAOB (0.46) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL28743514 0.82 IDO1 (0.50) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL10802954 0.82 IDO1 (0.50) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL28743519 0.82 IDO1 (0.50) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL16507800 0.82 IDO1 (0.50) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL10802956 0.82 IDO1 (0.50) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL9131503 0.82 PNMT (0.55) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL6158452 0.82 IDO1 (0.50) PNMTIDO1CYP3A4AGXTHTR3E
SCHEMBL11670292 0.82 IDO1 (0.50) PNMTIDO1CYP3A4AGXTHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559701-B1 Process for producing alkylaromatic compound MITSUBISHI GAS CHEMICAL CO (JP) 2014-10-08 EP disclosed
US-7518025-B2 Process for producing alkyl aromatic compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2009-04-14 US disclosed
US-20060122439-A1 Process for producing alkylaromatic compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-06-08 US disclosed
EP-1559701-A1 PROCESS FOR PRODUCING ALKYLAROMATIC COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-08-03 EP disclosed
EP-0643781-A4 ELECTROCATALYTIC ASYMMETRIC DIHYDROXYLATION OF OLEFINIC COMPOUNDS. 1995-04-26 EP disclosed
US-5030777-A Synthesis of 3,5-dichloroalkylbenzene and recovery of 1,3-dichlorobenzene STANDARD CHLORINE OF DELAWARE, INC. (US) 1991-07-09 US disclosed
US-5030777-A Synthesis of 3,5-dichloroalkylbenzene and recovery of 1,3-dichlorobenzene STANDARD CHLORINE OF DELAWARE, INC. (US) 1991-07-09 US disclosed
US-5030777-A Synthesis of 3,5-dichloroalkylbenzene and recovery of 1,3-dichlorobenzene STANDARD CHLORINE OF DELAWARE, INC. (US) 1991-07-09 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-20060122439-A1 Process for producing alkylaromatic compound DDC, RNF5, DDT PNMT 425/4885IDO1 944/4885CYP3A4 26/4885

“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.