SCHEMBL1278083

SCHEMBL1278083

C#CCNCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
PTPRC P08575 2/20 0.33
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
CTSK P43235 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
LATS1 O95835 1/20 0.31
TSHR P16473 1/20 0.31
VSIR Q9H7M9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSS P25774 1/20 0.30

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
SCHEMBL783009 0.83 CA2 (0.41) CA12CA2CA14MAOAMAOB
SCHEMBL20614704 0.81 EPHX2 (0.35) CA12CA2CA14MAOAMAOB
SCHEMBL3772506 0.79 CA2 (0.37) CA12CA2CA14MAOAMAOB
SCHEMBL18955286 0.79
SCHEMBL6535041 0.79 MAOA (0.44) CA12CA2CA14MAOAMAOB
Hydrochloric Acid SCHEMBL2018578 0.77 TSHR (0.46) MAOAMAOBTSHR
SCHEMBL7433191 0.77 CA12 (0.50) CA12CA2CA14MAOAMAOB
SCHEMBL9612246 0.77 MAOA (0.43) CA12CA2CA14MAOAMAOB
SCHEMBL763067 0.77 CA12 (0.38) CA12CA2CA14MAOAMAOB
SCHEMBL10356266 0.76 DGAT1 (0.34) CA12CA2CA14DGAT1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181223-A1 INSULIN CONJUGATES SANOFI (FR) 2020-06-11 US disclosed
CN-102893207-B Polyamic acid ester liquid crystal alignment agent, and liquid crystal alignment film using same NISSAN CHEMICAL IND LTD 2015-05-20 CN disclosed
CN-103003741-B Liquid crystal aligning agent containing compound having thermally releasable group and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2015-05-13 CN disclosed
CN-102893209-B Liquid crystal aligning agent containing polyamic acid ester and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2015-05-06 CN disclosed
CN-102893206-B Liquid crystal alignment agent containing end-modified polyamic acid ester, and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2015-04-01 CN 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
CN-103003741-A Liquid crystal aligning agent containing compound having thermally releasable group and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2013-03-27 CN disclosed
CN-102893206-A Liquid crystal alignment agent containing end-modified polyamic acid ester, and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2013-01-23 CN disclosed
CN-102893209-A Liquid crystal aligning agent containing polyamic acid ester and liquid crystal alignment film NISSAN CHEMICAL IND LTD 2013-01-23 CN disclosed
CN-102893207-A Polyamic acid ester liquid crystal alignment agent, and liquid crystal alignment film using same NISSAN CHEMICAL IND LTD 2013-01-23 CN 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
CN-101657436-A macrocyclic ghrelin receptor modulators and methods of use thereof TRANZYME PHARMA INC US 2010-02-24 CN disclosed
EP-0132441-A1 ANTIBACTERIAL PEPTIDES UNIVERSITY PATENTS, INC. (US) 1985-02-06 EP disclosed
WO-1984002905-A1 ANTIBACTERIAL PEPTIDES UNIVERSITY PATENTS INC (US) 1984-08-02 WO 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 (2 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-20200181223-A1 INSULIN CONJUGATES IAPP, INSR, IGF1R CA12 453/4885CA2 1521/4885CA14 478/4885
US-20120088888-A1 POLYIMIDE PRECURSOR, POLYIMIDE, AND LIQUID CRYSTAL ALIGNING AGENT PUF60, F13A1, F12 CA12 1392/4885CA2 1637/4885CA14 1563/4885

“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.