SCHEMBL12671708

SCHEMBL12671708

N#Cc1cc(/C=C/c2ccccc2)c(C#N)cc1/C=C/c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 4/20 0.47
▸ TRPA1 O75762 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAOB P27338 4/20 0.46
▸ MAOA P21397 3/20 0.46
▸ PRKCQ Q04759 4/20 0.44
▸ PRKCD Q05655 2/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ RELA Q04206 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
SCHEMBL16218975 0.87 ALDH1A1 (0.48) NFE2L2TRPA1ALDH1A1HPGDALOX12
SCHEMBL29628296 0.85 NFE2L2 (0.50) NFE2L2TRPA1ALDH1A1HPGDALOX12
SCHEMBL1674897 0.85 NFE2L2 (0.50) NFE2L2TRPA1ALDH1A1HPGDALOX12
SCHEMBL1286236 0.85 NFE2L2 (0.50) NFE2L2TRPA1ALDH1A1HPGDALOX12
Benzene SCHEMBL29196105 0.85 NFE2L2 (0.50) NFE2L2TRPA1ALDH1A1HPGDALOX12
SCHEMBL12202183 0.85 ALDH1A1 (0.38) NFE2L2TRPA1ALDH1A1HPGDALOX12
SCHEMBL10788528 0.84 ALDH1A1 (0.46) NFE2L2ALDH1A1HPGDALOX12L3MBTL1
SCHEMBL9915842 0.84 APP (0.46) TRPA1ALDH1A1HPGDALOX12L3MBTL1
SCHEMBL14498387 0.84 CYP19A1 (0.50) NFE2L2TRPA1ALDH1A1HPGDALOX12
SCHEMBL10788534 0.84 ALDH1A1 (0.46) NFE2L2ALDH1A1HPGDALOX12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105711-A1 CROSSLINKABLE SUBSTITUTED FLUORENE COMPOUNDS AND CONJUGATED OLIGOMERS OR POLYMERS BASED THEREON SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-05 — — US disclosed
US-7893160-B2 Crosslinkable substituted fluorene compounds and conjugated oligomers or polymers based thereon SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-22 — — US disclosed
US-20080265755-A1 Biscarbazol-9-Yl-Substituted Triarylamine-Containing Polymers and Electronic Devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 — — US disclosed
US-20070102695-A1 Crosslinkable substituted fluorene compounds and conjugated oligomers or polymers based thereon DOW GLOBAL TECHNOLOGIES INC. 2007-05-10 — — 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 (3 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-20110105711-A1 CROSSLINKABLE SUBSTITUTED FLUORENE COMPOUNDS AND CONJUGATED OLIGOMERS OR POLYMERS BASED THEREON THEM6, PCNA, PARG NFE2L2 602/4885TRPA1 1607/4885ALDH1A1 2935/4885
US-20070102695-A1 Crosslinkable substituted fluorene compounds and conjugated oligomers or polymers based thereon THEM6, PCNA, PARG NFE2L2 715/4885TRPA1 1066/4885ALDH1A1 2938/4885
US-20080265755-A1 Biscarbazol-9-Yl-Substituted Triarylamine-Containing Polymers and Electronic Devices PYM1, KCNMB4, BRD9 NFE2L2 3029/4885TRPA1 3229/4885ALDH1A1 2994/4885

“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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