SCHEMBL7022280

SCHEMBL7022280

CC(=O)OC(C)/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
GLA P06280 1/20 0.48
CYP1A2 P05177 3/20 0.47
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 2/20 0.42
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
PLIN1 O60240 1/20 0.42

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
SCHEMBL7026181 1.00 TDP1 (0.48) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL7028151 1.00 TDP1 (0.48) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL12738779 1.00 TDP1 (0.48) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL7022285 1.00 TDP1 (0.48) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL7017483 1.00 TDP1 (0.48) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL21055708 0.87 CYP1A2 (0.49) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL21055707 0.87 CYP1A2 (0.49) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL7194535 0.87 CYP1A2 (0.49) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL7097856 0.85 TDP1 (0.52) TDP1GLACYP1A2ALDH1A1CYP2C9
SCHEMBL1199677 0.85 TDP1 (0.52) TDP1GLACYP1A2ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031562-A1 Method for Forming Allylic Alcohols THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOI (US) 2014-01-30 US disclosed
WO-2010025366-A2 METHOD FOR FORMING ALLYLIC ALCOHOLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-04 WO disclosed
EP-0872467-B1 Process for the production of chiral unsaturated alcohols in high optical purity EASTMAN CHEM CO (US) 2003-01-22 EP disclosed
US-5886214-A CATALYTIC ASYMMETRIC HYDROGENATION OF ENOL ESTERS BEARING A VINYLLIC OR AN ACETYLENIC SUBSTITUENT BY USING A CHIRAL RHODIUM(I) HYDROGENATION CATALYST PREPARED FROM A SUITABLE RHODIUM SALT AND AN OPTICALLY PURE PHOSPHINE LIGAND EASTMAN CHEMICAL COMPANY (US) 1999-03-23 US disclosed
EP-0872467-A1 Process for the production of chiral unsaturated alcohols in high optical purity EASTMAN CHEMICAL COMPANY (US) 1998-10-21 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-20140031562-A1 Method for Forming Allylic Alcohols ADH1A, ADH1C, ADH5 TDP1 2911/4885GLA 3286/4885CYP1A2 28/4885

“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.