SCHEMBL4101735

SCHEMBL4101735

O=C(O)C=CC(C=Cc1ccccc1)=Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.67
HDAC4 P56524 2/20 0.67
HDAC1 Q13547 2/20 0.67
HDAC2 Q92769 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HCAR2 Q8TDS4 2/20 0.67
TNKS O95271 1/20 0.67
HDAC7 Q8WUI4 1/20 0.67
HDAC10 Q969S8 1/20 0.67
HDAC11 Q96DB2 1/20 0.67
TNKS2 Q9H2K2 1/20 0.67
HDAC9 Q9UKV0 1/20 0.67
HDAC5 Q9UQL6 1/20 0.67
MAPT P10636 4/20 0.55
PLIN1 O60240 2/20 0.55
LMNA P02545 2/20 0.55
RECQL P46063 2/20 0.55
PLIN5 Q00G26 2/20 0.55
ABHD5 Q8WTS1 2/20 0.55

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
SCHEMBL1172885 0.92 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30581088 0.92 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC2HDAC8
Methacrylic Acid SCHEMBL1618411 0.89 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29670874 0.88 MAPT (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8
Maleic Acid SCHEMBL4613433 0.87 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL16321978 0.84 MAOB (0.52) HDAC3HDAC4HDAC1HDAC2HDAC8
Cinnamic Acid SCHEMBL30451745 0.83 HCAR2 (0.95) HDAC3HDAC4HDAC1HDAC2HDAC8
Styrene SCHEMBL29064528 0.83 ALDH1A1 (0.52) HDAC3HDAC4HDAC1HDAC2HDAC8
Cinnamic Acid SCHEMBL29035668 0.81 HCAR2 (0.91) HDAC3HDAC4HDAC1HDAC2HDAC8
Cinnamic Acid SCHEMBL50466 0.81 HCAR2 (1.00) HDAC3HDAC4HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009065774-A1 GRAFTING OF ETHYLENICALLY UNSATURATED MONOMERS ONTO POLYMERS IN SUPERCRITICAL CARBON DIOXIDE BASF SE (CH) 2009-05-28 WO disclosed
EP-1232212-B1 COMPOSITION AND METHOD FOR COLOR IMPROVEMENT OF NITROXYL CONTAINING POLYMERS CIBA SC HOLDING AG (CH) 2006-05-10 EP disclosed
US-20050131177-A1 1-Alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators KRAMER ANDREAS (SE) 2005-06-16 US disclosed
US-6767949-B1 REDUCING AGENT COMPRISING PHOSPHORUS COMPOUND, SULFUR COMPOUND OR ETHYLENICALLY UNSATURATED CYCLIC COMPOUND; DISCOLORATION INHIBITION CIBA SPECIALTY CHEMICALS CORPORATION 2004-07-27 US disclosed
EP-0965617-B1 Crystalline modification of pigment C.I. Pigment Red 53:2 (gamma phase) CLARIANT GMBH (DE) 2002-01-30 EP disclosed
EP-0965617-A1 Crystalline modification of pigment C.I. Pigment Red 53:2 (gamma phase) Clariant GmbH (DE) 1999-12-22 EP disclosed
EP-0965616-A1 Crystalline modification of pigment C.I. Pigment Red 53:2 (delta phase) Clariant GmbH (DE) 1999-12-22 EP 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-20050131177-A1 1-Alkoxy-polyalkyl-piperidine derivatives and their use as polymerization regulators PYM1, PTGER1, CBR1 HDAC3 3433/4885HDAC4 4088/4885HDAC1 3289/4885

“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.