SCHEMBL3402071

SCHEMBL3402071

CC(O)CC#CCC(C)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.30
PGK1 P00558 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
SCHEMBL18679893 0.87
SCHEMBL4525037 0.87
SCHEMBL487731 0.87
SCHEMBL712718 0.83
SCHEMBL16405392 0.83
SCHEMBL4537639 0.83
SCHEMBL4534135 0.83
SCHEMBL17599084 0.81
SCHEMBL4525611 0.81
SCHEMBL12590732 0.81

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-101925554-B Shrinkage reducing agent CONSTR RES & TECH GMBH 2014-06-18 CN 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
CN-101925554-A Shrinkage reducing agent CONSTR RES & TECH GMBH 2010-12-22 CN disclosed
EP-2247552-A1 SHRINKAGE REDUCING AGENT Construction Research & Technology GmbH (DE) 2010-11-10 EP disclosed
US-7619125-B2 Hydrogenation promoter, hydrogenation catalyst, and process for producing alkene compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-11-17 US disclosed
WO-2009095131-A1 SHRINKAGE REDUCING AGENT CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-08-06 WO disclosed
US-20080033221-A1 Hydrogenation Promoter, Hydrogenation Catalyst, and Process for Producing Alkene Compound NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2008-02-07 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 (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.