SCHEMBL3401523

SCHEMBL3401523

CC(/C=C/C(C)CO)CO

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1B1 P15121 1/20 0.35
CYP2C9 P11712 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
SCHEMBL3401530 1.00 TSHR (0.47) TSHRTDP1MEN1KMT2AAKR1B1
SCHEMBL13703082 0.90
SCHEMBL13703083 0.90
SCHEMBL15305068 0.83
SCHEMBL716528 0.83
SCHEMBL7555690 0.83
SCHEMBL1791605 0.83
SCHEMBL8024863 0.83
SCHEMBL8665581 0.83 GAPDH (0.46) TSHRTDP1MEN1KMT2AAKR1B1
SCHEMBL5153779 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 8 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
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 2778/4885MEN1 347/4885
US-20120266782-A9 Shrinking Reducing Agent BCL2A1, CCAR2, C1R TSHR 3936/4885TDP1 2778/4885MEN1 347/4885

“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.