SCHEMBL13036623

SCHEMBL13036623

Cc1cc(-c2cccnc2)cc(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.62
CYP3A4 P08684 4/20 0.62
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 1/20 0.62
MKNK1 Q9BUB5 2/20 0.54
MKNK2 Q9HBH9 2/20 0.54
CYP2E1 P05181 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
PSIP1 O75475 1/20 0.50
AXL P30530 1/20 0.50
EPHX2 P34913 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
SLC2A1 P11166 1/20 0.50
ALK Q9UM73 1/20 0.49
CYP19A1 P11511 2/20 0.48
KIF11 P52732 1/20 0.48

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
SCHEMBL19826259 0.87 CYP2A6 (0.52) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL15262718 0.84 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL19594479 0.84 CYP2A6 (0.58) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL11991175 0.82 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL12068478 0.82 CYP2A6 (0.83) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL12956908 0.82 CYP2A6 (0.83) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL12108682 0.82 CYP2A6 (0.83) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL31508264 0.82 CYP2A6 (0.83) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL14506746 0.82 MKNK1 (0.61) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1
SCHEMBL12070458 0.81 CYP2A6 (0.65) CYP2A6CYP3A4ALDH1A1CYP1A2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-10407619-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-10 US disclosed
US-10336938-B2 Liquid crystal composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-07-02 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170335191-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-23 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170306234-A1 LIQUID CRYSTAL COMPOSITION, METHOD OF PRODUCING THE SAME, AND RETARDATION FILM CONSTITUTED FROM THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170283700-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-05 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170145312-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-11 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-20170335191-A1 LIQUID CRYSTAL COMPOSITION RCC1, CCDC47, ACIN1 CYP2A6 3817/4885CYP3A4 3978/4885ALDH1A1 4362/4885
US-20090149651-A1 PROCESSES AND INTERMEDIATES FOR PRODUCING AMINOBENZIMIDAZOLE UREAS TOP2B, TOP1, TOP2A CYP2A6 627/4885CYP3A4 34/4885ALDH1A1 3384/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 CYP2A6 3817/4885CYP3A4 3978/4885ALDH1A1 4362/4885

“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.