SCHEMBL514896

SCHEMBL514896

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)OC(=O)CBr)C(C)(C)CCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.69
MAPT P10636 8/20 0.69
CYP3A4 P08684 7/20 0.69
RXRA P19793 5/20 0.69
RARA P10276 4/20 0.69
RARB P10826 4/20 0.69
RARG P13631 4/20 0.69
PTGS1 P23219 4/20 0.69
MAPK1 P28482 4/20 0.69
APP P05067 4/20 0.69
SNCA P37840 4/20 0.69
ALOX15 P16050 4/20 0.69
BLM P54132 3/20 0.69
HIF1A Q16665 3/20 0.69
LMNA P02545 3/20 0.69
HSD17B10 Q99714 3/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
RXRB P28702 2/20 0.69
RXRG P48443 2/20 0.69

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
SCHEMBL58183 0.92 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL4860926 0.92 ALDH1A1 (0.72) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL3427341 0.91 ALDH1A1 (0.71) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL11407893 0.91 ALDH1A1 (0.71) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL1362317 0.90 ALDH1A1 (0.80) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL19668732 0.90 ALDH1A1 (0.69) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL2508378 0.90 ALDH1A1 (0.69) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL2012981 0.89 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4RXRARARA
SCHEMBL2005202 0.89 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4RXRARARA
Alcohol SCHEMBL1362664 0.89 ALDH1A1 (0.73) ALDH1A1MAPTCYP3A4RXRARARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144867-A1 USE OF LECITHIN:RETINOL ACYL TRANSFERASE GENE PROMOTER METHYLATION IN EVALUATING THE CANCER STATE OF SUBJECT CORNELL RESEARCH FOUNDATION, INC. (US) 2010-06-10 US claimed
EP-2099931-A2 USE OF LECITHIN:RETINOL ACYL TRANSFERASE GENE PROMOTER METHYLATION IN EVALUATING THE CANCER STATE OF A SUBJECT CORNELL RESEARCH FOUNDATION, INC. (US) 2009-09-16 EP claimed
WO-2008077095-A2 USE OF LECITHIN:RETINOL ACYL TRANSFERASE GENE PROMOTER METHYLATION IN EVALUATING THE CANCER STATE OF A SUBJECT CORNELL RESEARCH FOUNDATION, INC. (US) 2008-06-26 WO claimed
EP-2598471-B1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF EASTMAN CHEM CO (US) 2020-11-25 EP disclosed
US-9532938-B2 Esters of O-substituted hydroxy carboxylic acids and preparations thereof EASTMAN CHEMICAL COMPANY (US) 2017-01-03 US disclosed
US-20150025247-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF EASTMAN CHEM CO (US) 2015-01-22 US disclosed
US-8846723-B2 Esters of O-substituted hydroxy carboxylic acids and preparations thereof EASTMAN CHEMICAL COMPANY (US) 2014-09-30 US disclosed
EP-2598471-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF Eastman Chemical Company (US) 2013-06-05 EP disclosed
WO-2012015790-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF EASTMAN CHEMICAL COMPANY (US) 2012-02-02 WO disclosed
US-20120029198-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF EASTMAN CHEMICAL COMPANY (US) 2012-02-02 US disclosed
EP-2349148-A1 SYSTEM AND METHOD FOR TREATMENT OF LENS RELATED DISORDERS Glostrup Hospital (DK) 2011-08-03 EP disclosed
WO-2010015255-A1 SYSTEM AND METHOD FOR TREATMENT OF LENS RELATED DISORDERS GLOSTRUP HOSPITAL (DK) 2010-02-11 WO disclosed
US-20090227649-A1 Management of Ophthalmologic Disorders, Including Macular Degeneration PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-10 US disclosed
EP-1727529-A2 PREVENTION OF RETINOPATHY BY INHIBITION OF THE VISUAL CYCLE Larsen, Lars, Michael (DK) 2006-12-06 EP disclosed
WO-2005087210-A2 PREVENTION OF RETINOPATHY BY INHIBITION OF THE VISUAL CYCLE LARSEN LARS MICHAEL (DK) 2005-09-22 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 (3 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-20150025247-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF HCAR2, OXER1, FASN ALDH1A1 254/4885MAPT 4849/4885CYP3A4 227/4885
US-20090227649-A1 Management of Ophthalmologic Disorders, Including Macular Degeneration ALDH1A2, PDE6C, PDE6A ALDH1A1 963/4885MAPT 2307/4885CYP3A4 4527/4885
US-20120029198-A1 ESTERS OF O-SUBSTITUTED HYDROXY CARBOXYLIC ACIDS AND PREPARATIONS THEREOF HCAR2, OXER1, FASN ALDH1A1 254/4885MAPT 4849/4885CYP3A4 227/4885

“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.