SCHEMBL6026164

SCHEMBL6026164

COc1cc(C=CC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HPGD P15428 3/20 0.66
HSD17B10 Q99714 3/20 0.66
ALOX15 P16050 1/20 0.66
MAPK1 P28482 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
PKM P14618 2/20 0.62
SNCA P37840 2/20 0.62
CA2 P00918 2/20 0.62
CA5A P35218 2/20 0.62
CA9 Q16790 2/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA3 P07451 1/20 0.62
CSNK2A2 P19784 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
CA7 P43166 1/20 0.62
CSNK2B P67870 1/20 0.62

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
SCHEMBL6026160 1.00 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL14931845 1.00 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL2411836 0.89 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL2411839 0.89 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL10415000 0.89 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL10080272 0.87 EPHX2 (0.63) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL17529415 0.87 BACE1 (0.55) KDM4EALDH1A1HPGDHSD17B10ALOX15
Hydrochloric Acid SCHEMBL15653104 0.87 ALDH1A1 (0.64) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL8789901 0.85 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL8789897 0.85 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US claimed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP claimed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-12-13 US disclosed
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor NANJING SANHOME PHARMACEUTICAL CO., LTD (CN) 2018-10-09 US disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 EP disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
EP-3290419-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-07 EP disclosed
EP-3183230-A1 N-((3,4,5-TRIMETHOXYSTYRYL)ARYL)CINNAMAMIDE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2017-06-28 EP disclosed
WO-2016027282-A1 N-((3,4,5-TRIMETHOXYSTYRYL)ARYL)CINNAMAMIDE COMPOUNDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-02-25 WO disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
EP-0569380-A1 ACRIDINE DERIVATIVES. GLAXO LAB SA (FR) 1993-11-18 EP disclosed
WO-1992012132-A1 ACRIDINE DERIVATIVES LABORATOIRES GLAXO S.A. (FR) 1992-07-23 WO disclosed
EP-0494623-A1 Acridine derivatives LABORATOIRES GLAXO SA (FR) 1992-07-15 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0166542-B1 TRITERPENYL ESTERS OF ORGANIC ACIDS, PROCESS FOR THEIR PRODUCTION, AND HYPOLIPIDEMIC AGENTS COMPOSED OF THEM AMANO PHARMACEUTICAL CO., LTD. (JP) 1990-08-08 EP disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US disclosed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 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 (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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 KDM4E 3193/4885ALDH1A1 3212/4885HPGD 3455/4885
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor EGFR, ERBB2, ERBB4 KDM4E 3193/4885ALDH1A1 3212/4885HPGD 3455/4885
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR EGFR, ERBB2, ERBB4 KDM4E 3193/4885ALDH1A1 3212/4885HPGD 3455/4885

“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.