SCHEMBL1688846

SCHEMBL1688846

C=CCN(CC=C)c1ccc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.40
C5AR1 P21730 1/20 0.38
ADRA2A P08913 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1E P28566 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL21426606 0.91 CNR1 (0.38) CRHR1C5AR1ADRA2AHTR1ADRD2
SCHEMBL1688845 0.85 C5AR1 (0.38) CRHR1C5AR1ADRA2AHTR1ADRD2
SCHEMBL628764 0.81 ALOX5 (0.41) CRHR1OPRK1CYP3A4
SCHEMBL544101 0.76 C5AR1 (0.44) CRHR1C5AR1SIGMAR1CYP3A4ALDH1A1
SCHEMBL18096367 0.75 CRHR1 (0.47) CRHR1C5AR1ADRA2AHTR1ADRD2
SCHEMBL9258889 0.75 ALDH1A1 (0.42) CRHR1ADRA2ATDP1TP53CYP3A4
SCHEMBL3050943 0.75 ALDH1A1 (0.50) TDP1TP53CYP3A4ALDH1A1KDM4E
SCHEMBL21611342 0.74 CRHR1 (0.41) CRHR1C5AR1HTR1DHTR1BSMN1; SMN2
SCHEMBL24359422 0.74 TDP1 (0.43) ADRA2ATDP1TP53CYP3A4ALDH1A1
Lithium Ion SCHEMBL19732788 0.74 ALDH1A1 (0.41) CRHR1ADRA2ATDP1TP53CYP3A4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11112654-B2 Liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-09-07 US disclosed
US-11028323-B2 Liquid crystal aligning agent containing crosslinking agent and polymer that has site having isocyanate group and/or blocked isocyanate group and site having photoreactivity, liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-06-08 US disclosed
US-10921650-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-02-16 US disclosed
US-20200347226-A1 RESIN COMPOSITION FOR INSULATING FILM NISSAN CHEMICAL CORPORATION (JP) 2020-11-05 US disclosed
WO-2019189632-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2019-10-03 WO disclosed
WO-2019139028-A1 RESIN COMPOSITION FOR INSULATING FILM 日産化学株式会社 2019-07-18 WO disclosed
US-20190023987-A1 LIQUID CRYSTAL ALIGNING AGENT CONTAINING CROSSLINKING AGENT AND POLYMER THAT HAS SITE HAVING ISOCYANATE GROUP AND/OR BLOCKED ISOCYANATE GROUP AND SITE HAVING PHOTOREACTIVITY, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-24 US disclosed
US-20190018289-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-17 US disclosed
US-10011772-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-03 US disclosed
US-10011772-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-03 US disclosed
US-20160244673-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-20160244673-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-8901353-B2 Polyimide precursor, polyimide, and liquid crystal aligning agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-02 US disclosed
US-8829153-B2 Polyimide precursor composition containing polyamic acid alkyl ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-09 US disclosed
US-8829153-B2 Polyimide precursor composition containing polyamic acid alkyl ester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-09-09 US disclosed
US-20120101236-A1 POLYIMIDE PRECURSOR COMPOSITION CONTAINING POLYAMIC ACID ALKYL ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-26 US disclosed
US-20120101236-A1 POLYIMIDE PRECURSOR COMPOSITION CONTAINING POLYAMIC ACID ALKYL ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-26 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 US disclosed
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-12 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 (1 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-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 CRHR1 2696/4885C5AR1 938/4885ADRA2A 4487/4885

“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.