SCHEMBL2036701

SCHEMBL2036701

CCCCCCCCC(NC(=O)OCC)=C(C)C(=O)OCCN=C=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
FAAH O00519 2/20 0.34
DGKA P23743 1/20 0.34
EPHX1 P07099 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DNM1 Q05193 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
THRB P10828 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 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
SCHEMBL2030265 0.95 ALDH1A1 (0.31) TSHRL3MBTL1
SCHEMBL2062628 0.79 FNTA (0.49) TSHRFAAHDGKAMEN1KMT2A
SCHEMBL2036704 0.75 TSHR (0.49) TSHREPHX1
SCHEMBL28445116 0.75 PRSS1 (0.38) TSHRFAAHDGKAPRSS1PRSS2
SCHEMBL15976529 0.73 DGKA (0.65) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL10384378 0.72 GAA (0.41) FAAHKMT2AL3MBTL1
SCHEMBL2030267 0.72 ACHE (0.47) TSHRTHRB
SCHEMBL9569406 0.72 DGKA (0.61) TSHRDGKAPRSS1PRSS2PRSS3
Hexanoate SCHEMBL28009757 0.71 TSHR (0.53) TSHRMEN1KMT2ATHRB
SCHEMBL15169971 0.70 CHRM5 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004050-B1 CYANOSTILBENES ROLIC TECH AG (CH) 2020-09-02 EP disclosed
US-10329486-B2 Cyanostilbenes ROLIC AG (CH) 2019-06-25 US disclosed
CN-105567260-B Functionalized photoreactive compounds 罗利克有限公司 2018-09-11 CN disclosed
EP-3004050-A1 CYANOSTILBENES Rolic AG (CH) 2016-04-13 EP disclosed
US-20160083655-A1 CYANOSTILBENES ROLIC AG (CH) 2016-03-24 US disclosed
WO-2014191292-A1 CYANOSTILBENES ROLIC AG (CH) 2014-12-04 WO disclosed
US-7959990-B2 Adjustment of liquid crystals; oligomers, dendrimers, or polymer in solution is applied to support; crosslinking by radiation or polarized light ROLIC AG (CH) 2011-06-14 US disclosed
EP-1928979-B1 FUNCTIONALIZED PHOTOREACTIVE COMPOUNDS ROLIC AG (CH) 2009-03-04 EP disclosed
US-20080274304-A1 Functionalized Photoreactive Compounds ROLIC AG (CH) 2008-11-06 US disclosed
EP-1764405-A1 Functionalized photoreactive compounds Rolic AG (CH) 2007-03-21 EP 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-20080274304-A1 Functionalized Photoreactive Compounds PCNA, PIN1, MAP1LC3C TSHR 4847/4885FAAH 1154/4885DGKA 3163/4885
US-20160083655-A1 CYANOSTILBENES LATS1, LATS2, CRY1 TSHR 4718/4885FAAH 4275/4885DGKA 3670/4885
US-10329486-B2 Cyanostilbenes LATS1, LATS2, CRY1 TSHR 4718/4885FAAH 4275/4885DGKA 3670/4885

“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.