SCHEMBL3789042

SCHEMBL3789042

CCCc1ccc2sccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.61
SIGMAR1 Q99720 2/20 0.44
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
PDE10A Q9Y233 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
DYRK1A Q13627 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
TPSAB1 Q15661 1/20 0.36

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
SCHEMBL3793629 0.89 CYP2A6 (0.58) CYP2A6SIGMAR1CA12CA2PDE10A
SCHEMBL14402598 0.87 CYP2A6 (0.56) CYP2A6SIGMAR1CA12CA2SLC6A4
SCHEMBL12269070 0.86 CYP2A6 (0.54) CYP2A6SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL8648137 0.86 CYP2A6 (0.54) CYP2A6SIGMAR1SLC6A4SLC6A3SLC6A2
SCHEMBL3799097 0.85 CYP2A6 (0.43) CYP2A6SIGMAR1CA12CA2CNR1
SCHEMBL25570139 0.84 CYP2A6 (0.53) CYP2A6SIGMAR1CA12CA2PDE10A
SCHEMBL1774025 0.84 CYP2A6 (0.66) CYP2A6SIGMAR1CA12CA2PDE10A
SCHEMBL3816500 0.83 SIGMAR1 (0.56) CYP2A6SIGMAR1CA12CA2PDE10A
SCHEMBL48139 0.81 CYP2A6 (0.61) CYP2A6SIGMAR1CA12CA2PDE10A
SCHEMBL2091182 0.81 CYP2A6 (0.61) CYP2A6SIGMAR1CA12CA2PDE10A

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 21 patents — showing the first 20. 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-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-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors BLUHM HARALD 2008-09-11 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 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 (4 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 3817/4885SIGMAR1 4288/4885CA12 534/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 CYP2A6 593/4885SIGMAR1 41/4885CA12 4858/4885
US-10407619-B2 Liquid crystal composition RCC1, CCDC47, ACIN1 CYP2A6 3817/4885SIGMAR1 4288/4885CA12 534/4885
US-20080221092-A1 Heterobicyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 CYP2A6 595/4885SIGMAR1 3928/4885CA12 374/4885

“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.