SCHEMBL12709043

SCHEMBL12709043

C=CC(=O)OCCCOC#N

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 2/20 0.61
HPGD P15428 1/20 0.55
TP53 P04637 3/20 0.50
HIF1A Q16665 3/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 3/20 0.32

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
SCHEMBL5906591 0.88 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18854240 0.84 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL321925 0.83 TSHR (0.85) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18828854 0.83 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL26307218 0.83 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18854247 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18828930 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18828929 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28470987 0.81 TSHR (0.81) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL18854242 0.80 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53

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
CN-107849199-A Resin and surface protection board or materials used in auto manufacturing 住友化学株式会社 2018-03-27 CN disclosed
US-20170145216-A1 RHODAMINE-BASED COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 US disclosed
US-8748647-B2 Silane and silicic acid polycondensates with radicals containing branched-chain urethane, acid amide and/or carboxylic acid ester groups Fraunhofer—Gesellschaft zur Föderung der angewandten Forschung e.V. (DE) 2014-06-10 US disclosed
US-20110082250-A1 Silane and Silicic Acid Polycondensates with Radicals Containing Branched-Chain Urethane, Acid Amide and/or Carboxylic Acid Ester Groups FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E. V. (DE) 2011-04-07 US disclosed
CN-1715346-A The liquid ink that comprises stable organosol SAMSUNG ELECTRONICS CO LTD (KR) 2006-01-04 CN disclosed
CN-1234785-C Liquid ink containing surface treatment coloring agent particle and productive method thereof SAMSUNG ELECTRONICS CO LTD (KR) 2006-01-04 CN disclosed
CN-1222560-C Organic sol and printing ink containing said organic sol SAMSUNG ELECTRONICS CO LTD (KR) 2005-10-12 CN disclosed
CN-1367194-A Organic sol and printing ink containing said organic sol SAMSUNG ELECTRONICS CO LTD (KR) 2002-09-04 CN disclosed
CN-1358807-A Liquid ink containing surface treatment coloring agent particle and productive method thereof SAMSUNG ELECTRONICS CO LTD (KR) 2002-07-17 CN 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-20110082250-A1 Silane and Silicic Acid Polycondensates with Radicals Containing Branched-Chain Urethane, Acid Amide and/or Carboxylic Acid Ester Groups ORC3, BCAT1, MSR1 TSHR 4007/4885ALDH1A1 2113/4885CYP3A4 2587/4885

“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.