SCHEMBL4301538

SCHEMBL4301538

COc1cc(/C=C/C(C)=O)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
HTT P42858 1/20 1.00
ALDH1A1 P00352 3/20 0.74
KDM4E B2RXH2 2/20 0.74
HTR1A P08908 2/20 0.74
HPGD P15428 2/20 0.74
HTR2C P28335 1/20 0.74
HSD17B10 Q99714 1/20 0.74
APP P05067 2/20 0.64
ABCB1 P08183 1/20 0.62
KRAS P01116 5/20 0.60
CA1 P00915 3/20 0.60
CA2 P00918 3/20 0.60
PSMB11 A5LHX3 1/20 0.60
PSMA7 O14818 1/20 0.60
PSMB1 P20618 1/20 0.60
PSMA1 P25786 1/20 0.60
PSMA2 P25787 1/20 0.60
PSMA3 P25788 1/20 0.60
PSMA4 P25789 1/20 0.60

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
SCHEMBL4301544 1.00 GAA (1.00) GAAHTTALDH1A1KDM4EHTR1A
SCHEMBL28914840 0.89 GAA (0.79) GAAHTTALDH1A1KDM4EHTR1A
SCHEMBL30122806 0.89 GAA (0.79) GAAHTTALDH1A1KDM4EHTR1A
SCHEMBL15884131 0.88 GAA (0.78) GAAHTTALDH1A1KDM4EHTR1A
SCHEMBL13952231 0.87 GAA (0.77) GAAHTTALDH1A1KDM4EHTR1A
SCHEMBL2743909 0.87 ALDH1A1 (0.77) GAAHTTALDH1A1KDM4EHTR1A
SCHEMBL2743907 0.87 ALDH1A1 (0.77) GAAHTTALDH1A1KDM4EHTR1A
SCHEMBL6106506 0.85 ALDH1A1 (0.74) GAAHTTALDH1A1KDM4EHTR1A
Sinapic Acid Methyl Ether SCHEMBL207442 0.85 KDM4E (1.00) GAAHTTALDH1A1KDM4EHTR1A
Sinapic Acid Methyl Ether SCHEMBL207441 0.85 KDM4E (1.00) GAAHTTALDH1A1KDM4EHTR1A

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
CN-113304129-B Application of mono-ketene monocarbonyl curcumin analogue in preparing antioxidant drugs 温州医科大学附属第二医院(温州医科大学附属育英儿童医院) 2022-11-08 CN disclosed
WO-2022158624-A1 NOVEL BENZOPYRAN DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND ANTICANCER COMPOSITION COMPRISING SAME 연세대학교 산학협력단 2022-07-28 WO disclosed
CN-112266352-B Piperlongumine derivative and preparation method and application thereof 绍兴文理学院 2022-02-08 CN disclosed
CN-112266352-A Piperlongumine derivative and preparation method and application thereof 绍兴文理学院 2021-01-26 CN disclosed
US-10238631-B2 Sesquiterpene derivatives and their use in inflammation or cancer treatment ACADEMIA SINICA (TW) 2019-03-26 US disclosed
US-9908893-B2 Thieno [2,3-b] pyridines as multidrug resistance modulators LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2018-03-06 US disclosed
US-9839640-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2017-12-12 US disclosed
US-9796671-B2 Aurora kinase inhibitors REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-24 US disclosed
US-8524744-B2 preventing and/or treating the diseases related to the plaque-activating factors, especially in anti-inflammation and immunization, more especially in the treatment of the acute or chronic inflammation, such as, osteoarthritis, oarthritis deformans, etc. INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-09-03 US disclosed
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE SENSOPATH TECHNOLOGIES, INC. 2009-02-12 US disclosed
US-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2008-09-11 US disclosed
CN-101146772-A Arylamine ketone compound, synthesis method thereof, pharmaceutical composition containing arylamine ketone compound and application of arylamine ketone compound INST MATERIA MEDICA CAMS (CN) 2008-03-19 CN disclosed
EP-1783115-A1 ARYLAMINE KETONES, THEIR PREPARATION METHODS, THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2007-05-09 EP disclosed
EP-0316790-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS AND THEIR USE NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-08-11 EP disclosed
US-4927958-A ANTIULCER HOFFMANN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4897406-A CHEMICAL MEDIATOR INHIBITORS INCLUDING LEUKOTRIENES; ANTIALLERGENS; BRONCHODILATOR AND ANTIICHEMIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-01-30 US disclosed
EP-0316790-A1 Rhodanine derivatives, a process for their preparation, pharmaceutical compositions and their use NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-05-24 EP disclosed
EP-0282897-A2 Ethynyl- and ethenylstyryl ketones F. HOFFMANN-LA ROCHE AG (CH) 1988-09-21 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 (4 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-20080221106-A1 Arylamine Ketones, Their Preparation Methods, The Pharmaceutical Composition Containing Them And Their Use AHR, KYNU, AADAC GAA 1323/4885HTT 158/4885ALDH1A1 854/4885
US-20090043109-A1 ASYMMETRIC ONE- AND TWO-PHOTON FLUOROPHORES FOR SIMULTANEOUS DETECTION OF MULTIPLE ANALYTES USING A COMMON EXCITATION SOURCE ALDH1B1, ALDH2, ALDH3A1 GAA 3330/4885HTT 2707/4885ALDH1A1 7/4885
US-10238631-B2 Sesquiterpene derivatives and their use in inflammation or cancer treatment GSTK1, GSTA1, GTPBP10 GAA 1071/4885HTT 1703/4885ALDH1A1 1957/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C GAA 359/4885HTT 477/4885ALDH1A1 145/4885

“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.