SCHEMBL3402330

SCHEMBL3402330

CCC/C(O)=C(\O)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
FFAR3 O14843 3/20 0.50
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TSHR P16473 5/20 0.39
ALDH1A1 P00352 3/20 0.37
AKR1B1 P15121 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GPR84 Q9NQS5 6/20 0.33
PPARG P37231 6/20 0.33
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
HDAC11 Q96DB2 5/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
PTPN1 P18031 2/20 0.33

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
SCHEMBL3402335 1.00 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL28202809 0.81
SCHEMBL31065270 0.81
SCHEMBL11314784 0.78
SCHEMBL5698753 0.78
SCHEMBL6709788 0.73
SCHEMBL1563509 0.73 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL11131934 0.73 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL42275 0.73
SCHEMBL1022912 0.73

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
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
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 HDAC3 1120/4885HDAC1 419/4885HDAC2 500/4885
US-20120266782-A9 Shrinking Reducing Agent BCL2A1, CCAR2, C1R HDAC3 1120/4885HDAC1 419/4885HDAC2 500/4885

“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.