SCHEMBL6561368

SCHEMBL6561368

Clc1ccc2c(ccc3cc(Cl)ccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.57
F11 P03951 1/20 0.43
TYMS P04818 1/20 0.43
TP53 P04637 1/20 0.43
AHR P35869 3/20 0.42
NR4A2 P43354 3/20 0.42
CMA1 P23946 1/20 0.42
F7 P08709 1/20 0.42
LTA4H P09960 1/20 0.42
F3 P13726 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
NOS1 P29475 2/20 0.39
DAO P14920 1/20 0.39
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12205409 0.97 CYP2A6 (0.55) CYP2A6F11TYMSTP53AHR
SCHEMBL26853391 0.89 CYP2A6 (0.48) CYP2A6F11TYMSTP53AHR
SCHEMBL2723778 0.87 CYP2A6 (0.65) CYP2A6AHRLMNAALDH1A1CYP3A4
SCHEMBL2723074 0.85 CYP2A6 (0.52) CYP2A6TYMSTP53NR4A2POLB
SCHEMBL21507692 0.85 CYP2A6 (0.44) CYP2A6F11TYMSTP53AHR
SCHEMBL380219 0.85 HPRT1 (0.64) CYP2A6AHRLMNAALDH1A1CYP3A4
SCHEMBL29644361 0.83 CYP2A6 (0.77) CYP2A6F11TP53AHRNR4A2
SCHEMBL865990 0.83 CYP2A6 (0.77) CYP2A6F11TP53AHRNR4A2
SCHEMBL9244984 0.82 CYP2A6 (0.54) CYP2A6F11TYMSTP53AHR
SCHEMBL13562262 0.82 CYP2A6 (0.64) CYP2A6AHRNR4A2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023071073-A1 ARYLAMINE ORGANIC COMPOUND AND USE THEREOF 广州华睿光电材料有限公司 2023-05-04 WO disclosed
EP-2981993-B1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KK (JP) 2022-05-11 EP disclosed
US-9911921-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2018-03-06 US disclosed
US-9911921-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2018-03-06 US disclosed
US-20150372238-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2015-12-24 US disclosed
US-20150372238-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2015-12-24 US disclosed
US-20130037788-A1 NOVEL m-TERPHENYL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
US-20130037788-A1 NOVEL m-TERPHENYL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
US-20130037788-A1 NOVEL m-TERPHENYL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 US disclosed
WO-2011132624-A1 NOVEL m-TERPHENYL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-27 WO disclosed
EP-1122746-B1 Composition for film formation and insulating film JSR CORP (JP) 2004-09-22 EP disclosed
US-6468589-B2 A HEAT-CURED POLYETHER BASED ON A 9,9-BIS(P-HYDROXYPHENYL)-FLUORENE HAVING AT LEAST ONE ALKYL SUBSTITUENT AND A DIHYDROXY AROMATIC COMONOMER; LOW DIELECTRIC PROTECTIVE COATINGS; HEAT RESISTANCE; NONCRACKING JSR CORPORATION (JP) 2002-10-22 US disclosed
US-20010012870-A1 Composition for film formation and insulating film JSR CORPORATION (JP) 2001-08-09 US disclosed
EP-1122746-A1 Composition for film formation and insulating film JSR Corporation (JP) 2001-08-08 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 (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-20130037788-A1 NOVEL m-TERPHENYL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME TPMT, TPT1, TRMT1L CYP2A6 2022/4885F11 4001/4885TYMS 133/4885
US-20150372238-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE ORC3, AOC3, EML4 CYP2A6 3455/4885F11 1863/4885TYMS 3935/4885

“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.