SCHEMBL3399731

SCHEMBL3399731

CC(O)CC=CCC(C)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
TRPM8 Q7Z2W7 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
SCHEMBL3399729 1.00 TSHR (0.44) TSHRTDP1ALDH1A1LMNAMAPK1
SCHEMBL1658879 0.87
SCHEMBL5868507 0.87
SCHEMBL14220615 0.87
SCHEMBL6472297 0.87 TSHR (0.42) TSHRTDP1ALDH1A1
SCHEMBL6472293 0.87 TSHR (0.42) TSHRTDP1ALDH1A1
SCHEMBL5868504 0.87
SCHEMBL1784155 0.87
SCHEMBL1658878 0.87
SCHEMBL11578116 0.86 TSHR (0.39) TSHRTDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153483-A1 Concentrated, stable fabric softening composition TRINH TOAN (US) 2003-08-14 US claimed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP claimed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
CN-101925554-B Shrinkage reducing agent CONSTR RES & TECH GMBH 2014-06-18 CN disclosed
EP-2599811-A1 Resin composition for laser engraving, flexographic printing plate precursor for laser engraving and process for producing same, and flexographic printing plate and process for making same Fujifilm Corporation (JP) 2013-06-05 EP disclosed
US-20130133539-A1 RESIN COMPOSITION FOR LASER ENGRAVING, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND FLEXOGRAPHIC PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2013-05-30 US disclosed
US-8353983-B2 Shrinkage reducing agent CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2013-01-15 US disclosed
US-20120266782-A9 Shrinking Reducing Agent CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-10-25 US disclosed
EP-2247552-B1 SHRINKAGE REDUCING AGENT CONSTR RES & TECH GMBH (DE) 2012-07-11 EP disclosed
US-20120125236-A1 Shrinking Reducing Agent CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2012-05-24 US disclosed
EP-2247552-A1 SHRINKAGE REDUCING AGENT Construction Research & Technology GmbH (DE) 2010-11-10 EP disclosed
WO-2009095131-A1 SHRINKAGE REDUCING AGENT CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-08-06 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-20120125236-A1 Shrinking Reducing Agent BCL2A1, CCAR2, C1R TSHR 3936/4885TDP1 2778/4885ALDH1A1 1955/4885
US-20120266782-A9 Shrinking Reducing Agent BCL2A1, CCAR2, C1R TSHR 3936/4885TDP1 2778/4885ALDH1A1 1955/4885

“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.