SCHEMBL15780506

SCHEMBL15780506

Clc1c2ccccc2cc2sc3c(sc4cc5ccccc5c(Cl)c43)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.41
▸ NQO1 P15559 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ CYP1B1 Q16678 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAOA P21397 2/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL24238505 0.83 GPR3 (0.46) CYP2A6NQO1NQO2CYP1B1ALDH1A1
SCHEMBL31496931 0.83 GPR3 (0.46) CYP2A6NQO1NQO2CYP1B1ALDH1A1
SCHEMBL22892840 0.81 CYP2A6 (0.33) CYP2A6NQO1NQO2CYP1B1CYP1A2
SCHEMBL15780507 0.77 PTPN1 (0.41) CYP2A6NQO1NQO2CYP1B1ALDH1A1
SCHEMBL15853272 0.77 L3MBTL1 (0.41) CYP2A6NQO1NQO2CYP1B1ALDH1A1
SCHEMBL26021657 0.76 MAPT (0.47) CYP2A6CYP1B1ALDH1A1HIF1AHSD17B10
SCHEMBL24211999 0.73 CYP2A6 (0.34) CYP2A6NQO1NQO2CYP1B1ALDH1A1
SCHEMBL24295940 0.72 GPR3 (0.41) CYP2A6NQO1NQO2CYP1B1ALDH1A1
SCHEMBL30413091 0.71 CYP2A6 (0.56) CYP2A6NQO2CYP1B1ALDH1A1HIF1A
SCHEMBL632553 0.71 CYP2A6 (0.56) CYP2A6NQO2CYP1B1ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150236269-A1 ORGANIC SEMICONDUCTOR SOLUTION AND ORGANIC SEMICONDUCTOR FILM TEIJIN LIMITED (JP) 2015-08-20 — — US disclosed
US-20150236269-A1 ORGANIC SEMICONDUCTOR SOLUTION AND ORGANIC SEMICONDUCTOR FILM TEIJIN LIMITED (JP) 2015-08-20 — — US disclosed
US-8829202-B2 Condensed polycyclic aromatic compound, aromatic polymer, and method for synthesizing aromatic compound TEIJIN LIMITED (JP) 2014-09-09 — — US disclosed
US-8829202-B2 Condensed polycyclic aromatic compound, aromatic polymer, and method for synthesizing aromatic compound TEIJIN LIMITED (JP) 2014-09-09 — — US disclosed
US-20140187792-A1 CONDENSED POLYCYCLIC AROMATIC COMPOUND, AROMATIC POLYMER, AND METHOD FOR SYNTHESIZING AROMATIC COMPOUND TEIJIN LIMITED (JP) 2014-07-03 — — US disclosed
US-20140187792-A1 CONDENSED POLYCYCLIC AROMATIC COMPOUND, AROMATIC POLYMER, AND METHOD FOR SYNTHESIZING AROMATIC COMPOUND TEIJIN LIMITED (JP) 2014-07-03 — — US disclosed
EP-2740735-A1 CONDENSED POLYCYCLIC AROMATIC COMPOUND, AROMATIC POLYMER, AND METHOD FOR SYNTHESIZING AROMATIC COMPOUND Teijin Limited (JP) 2014-06-11 — — 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-20140187792-A1 CONDENSED POLYCYCLIC AROMATIC COMPOUND, AROMATIC POLYMER, AND METHOD FOR SYNTHESIZING AROMATIC COMPOUND PAH, C9, CCNB2 CYP2A6 581/4885NQO1 1851/4885NQO2 3020/4885

“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.

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