SCHEMBL12205409

SCHEMBL12205409

Clc1ccc2c(ccc3c4ccc(Cl)cc4ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
TYMS P04818 1/20 0.42
F11 P03951 1/20 0.41
HPRT1 P00492 1/20 0.41
TP53 P04637 1/20 0.41
AHR P35869 3/20 0.41
NR4A2 P43354 2/20 0.41
CMA1 P23946 1/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.39
NOS1 P29475 2/20 0.38
DAO P14920 1/20 0.38
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6561368 0.97 CYP2A6 (0.57) CYP2A6TYMSF11TP53AHR
SCHEMBL26853391 0.92 CYP2A6 (0.48) CYP2A6TYMSF11HPRT1TP53
SCHEMBL380219 0.88 HPRT1 (0.64) CYP2A6HPRT1AHRLMNAALDH1A1
SCHEMBL2723778 0.85 CYP2A6 (0.65) CYP2A6HPRT1AHRLMNAALDH1A1
SCHEMBL13562262 0.84 CYP2A6 (0.64) CYP2A6HPRT1AHRNR4A2LMNA
SCHEMBL21507692 0.83 CYP2A6 (0.44) CYP2A6TYMSF11TP53AHR
SCHEMBL2723074 0.83 CYP2A6 (0.52) CYP2A6TYMSTP53NR4A2POLB
SCHEMBL2406653 0.82 CYP2A6 (0.48) CYP2A6TYMSHPRT1TP53AHR
SCHEMBL30038739 0.81 MAPT (0.65) CYP2A6TYMSNR4A2POLBLMNA
SCHEMBL27246717 0.81 MAPT (0.65) CYP2A6TYMSNR4A2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844268-B2 Organic compound and organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2023-12-12 US disclosed
US-11844268-B2 Organic compound and organic light-emitting element CANON KABUSHIKI KAISHA (JP) 2023-12-12 US disclosed
US-11807593-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, lighting apparatus, and moving object CANON KABUSHIKI KAISHA (JP) 2023-11-07 US disclosed
US-11807593-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, lighting apparatus, and moving object CANON KABUSHIKI KAISHA (JP) 2023-11-07 US disclosed
US-20210143335-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT CANON KABUSHIKI KAISHA (JP) 2021-05-13 US disclosed
US-20210101864-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, LIGHTING APPARATUS, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2021-04-08 US disclosed
US-8951648-B2 Diacenaphtho[1,2-b:1′,2′-k]chrysene derivative CANON KABUSHIKI KAISHA (JP) 2015-02-10 US disclosed
US-8951648-B2 Diacenaphtho[1,2-b:1′,2′-k]chrysene derivative CANON KABUSHIKI KAISHA (JP) 2015-02-10 US disclosed
US-20110251446-A1 DIACENAPHTHO[1,2-b:1',2'-k]CHRYSENE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2011-10-13 US disclosed
US-20110251446-A1 DIACENAPHTHO[1,2-b:1',2'-k]CHRYSENE DERIVATIVE CANON KABUSHIKI KAISHA (JP) 2011-10-13 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 (5 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-11844268-B2 Organic compound and organic light-emitting element OR51E2, OR10J3, NR2E3 CYP2A6 471/4885TYMS 3201/4885F11 2953/4885
US-20210101864-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, LIGHTING APPARATUS, AND MOVING OBJECT OCIAD1, DRD1, ORC3 CYP2A6 2700/4885TYMS 4616/4885F11 1868/4885
US-11807593-B2 Organic compound, organic light-emitting element, display apparatus, image pickup apparatus, lighting apparatus, and moving object OCIAD1, DRD1, ORC3 CYP2A6 2700/4885TYMS 4616/4885F11 1868/4885
US-20210143335-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT OR51E2, OR10J3, NR2E3 CYP2A6 471/4885TYMS 3201/4885F11 2953/4885
US-20110251446-A1 DIACENAPHTHO[1,2-b:1',2'-k]CHRYSENE DERIVATIVE DNAJB12, DNAJA1, DNAJA2 CYP2A6 887/4885TYMS 3431/4885F11 3247/4885

“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.