SCHEMBL1114742

SCHEMBL1114742

C=CCCCCCCCCN=C=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.63
TSHR P16473 2/20 0.41
ABCC4 O15439 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 3/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LMNA P02545 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL7035016 1.00 TRPA1 (0.63) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL30450365 1.00 TRPA1 (0.63) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL7638690 1.00 TRPA1 (0.63) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL9508576 1.00 TRPA1 (0.63) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL29000385 0.98 TRPA1 (0.61) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL28217747 0.98 TRPA1 (0.61) TRPA1TSHRABCC4MAPTALDH1A1
SCHEMBL5831239 0.98
SCHEMBL1825234 0.91
SCHEMBL10966299 0.88
Butadiene SCHEMBL28262474 0.83 TRPA1 (0.41) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101962443-A Long-chain ureido modified silicone oil and preparation method thereof SHENZHEN TAIKE TECHNOLOGY CO LTD 2011-02-02 CN claimed
US-4232951-A DISPLAY DEVICE FOR MEMORY OR TEMPERATURE FUNCTIONS ALLIED CHEMICAL CORPORATION (US) 1980-11-11 US claimed
EP-1817425-B1 TRICHLORO SILYL ALKYL ISOCYANATE MOLECULE AND SURFACE MODIFIED MINERAL SUBSTRATE CENTRE NAT RECH SCIENT (FR) 2013-03-06 EP disclosed
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP disclosed
CN-101962443-B Long-chain ureido modified silicone oil and preparation method thereof SHENZHEN TAIKE TECHNOLOGY CO LTD 2012-09-12 CN disclosed
EP-1691814-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2012-07-25 EP disclosed
US-8067338-B2 Trichloro silyl alkyl isocyanate molecule and surface modified mineral substrate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-11-29 US disclosed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP disclosed
CN-101962443-A Long-chain ureido modified silicone oil and preparation method thereof SHENZHEN TAIKE TECHNOLOGY CO LTD 2011-02-02 CN disclosed
US-7722958-B2 Organic solvent-free film-forming compositions, multi-layer composite coatings, and related methods PPG INDUSTRIES OHIO, INC. (US) 2010-05-25 US disclosed
US-20090023590-A1 Trichloro Silyl Alkyl Isocyanate Molecule and Surface Modified Mineral Substrate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-01-22 US disclosed
US-4232951-A DISPLAY DEVICE FOR MEMORY OR TEMPERATURE FUNCTIONS ALLIED CHEMICAL CORPORATION (US) 1980-11-11 US disclosed
US-4056548-A Curable polyene-polythiol compounds and methods for preparation and curing W. R. GRACE & CO. (US) 1977-11-01 US disclosed
US-4045317-A Curable polyene-polythiol compounds and methods for preparation and curing W. R. GRACE & CO. (US) 1977-08-30 US disclosed
US-4045483-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-08-30 US disclosed
US-4009163-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1977-02-22 US disclosed
US-3996257-A Polythiocarbamate monomers W. R. GRACE & CO. (US) 1976-12-07 US disclosed
US-3988370-A BACTERICIDES, FUNGICIDES STERLING DRUG INC. (US) 1976-10-26 US disclosed
US-3976553-A Curable polyene-polythiol compounds and methods for preparation and curing W. R. GRACE & CO. (US) 1976-08-24 US disclosed
US-3966794-A Curable polyene-polythiol compounds W. R. GRACE & CO. (US) 1976-06-29 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-20090023590-A1 Trichloro Silyl Alkyl Isocyanate Molecule and Surface Modified Mineral Substrate TST, MSMO1, ESPL1 TRPA1 1771/4885TSHR 3892/4885ABCC4 3321/4885

“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.