SCHEMBL812074

SCHEMBL812074

COC(=O)C(=O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.48
LDHA P00338 1/20 0.44
SRR Q9GZT4 1/20 0.44
ALDH1A1 P00352 3/20 0.39
TSHR P16473 4/20 0.39
TET2 Q6N021 1/20 0.37
TGFBR1 P36897 1/20 0.37
FFAR3 O14843 1/20 0.35
HDAC3 O15379 3/20 0.33
HDAC4 P56524 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC7 Q8WUI4 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC10 Q969S8 3/20 0.33
HDAC11 Q96DB2 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
HDAC9 Q9UKV0 3/20 0.33
HDAC5 Q9UQL6 3/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8804004 0.84 ALDH1A1 (0.45) EGLN1ALDH1A1TSHRTET2TGFBR1
SCHEMBL9175497 0.80 GAA (0.50) EGLN1ALDH1A1TSHRTET2HSD17B10
SCHEMBL9668021 0.78 EGLN1 (0.50) EGLN1ALDH1A1TSHRFFAR3HDAC3
SCHEMBL322476 0.77 GAA (0.52) EGLN1ALDH1A1TSHRTET2HSD17B10
SCHEMBL7068975 0.77
SCHEMBL351192 0.77 MGAM (0.52) EGLN1ALDH1A1TSHRTET2TGFBR1
SCHEMBL6129631 0.76 EGLN1 (0.54) EGLN1LDHASRRALDH1A1TSHR
SCHEMBL16046411 0.75 TSHR (0.47) EGLN1ALDH1A1TSHRTET2TGFBR1
SCHEMBL13478059 0.74 ALDH1A1 (0.43) EGLN1ALDH1A1TSHRTET2TGFBR1
SCHEMBL19618614 0.74 ALDH1A1 (0.38) EGLN1ALDH1A1TSHRTET2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710817-A Small molecular weight coumarins near infrared fluorescent dye with large Stokes shift and synthesis method thereof DALIAN CHEMICAL PHYSICS INST 2015-06-17 CN claimed
EP-3426626-B1 RESVERATROL GLYCOLATE AND TARTRATE DERIVATIVES AND SYNTHETIC METHODS THEREFOR ELC MAN LLC (US) 2021-07-14 EP disclosed
EP-3033316-B1 COMPOUNDS AND METHODS FOR IMPROVING PLANT PERFORMANCE TRIAD NAT SECURITY LLC (US) 2020-08-05 EP disclosed
US-10117431-B2 Compounds and methods for improving plant performance LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-11-06 US disclosed
US-20160345577-A1 Compounds And Methods for Improving Plant Performance TRIAD NATIONAL SECURITY, LLC 2016-12-01 US disclosed
US-9446992-B2 Compounds and methods for improving plant performance LOS ALAMOS NATIONAL SECURITY, LLC (US) 2016-09-20 US disclosed
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION UNIV OHIO (US) 2016-08-04 US disclosed
EP-3033316-A1 COMPOUNDS AND METHODS FOR IMPROVING PLANT PERFORMANCE Los Alamos National Security, LLC (US) 2016-06-22 EP disclosed
US-9326972-B2 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY (US) 2016-05-03 US disclosed
US-20160045151-A1 METHOD AND APPARATUS FOR NON-INVASIVE LIVER FUNCTION TESTING SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-02-18 US disclosed
WO-1999012903-A1 BENZIMIDAZOLINONES, BENZOXAZOLINONES, BENZOPIPERAZINONES, INDANONES, AND DERIVATIVES THEREOF AS INHIBITORS OF FACTOR XA DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-18 WO disclosed
US-5597548-A METABOLISM TO ACETYL COENZYME A; MEASURING GLUTAMATE ENRICHMENT PATTERN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-01-28 US disclosed
US-5413917-A Carbon-13 label, nuclear magnetic resonance BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-05-09 US disclosed
WO-1992001937-A2 METHOD OF DETERMINING SOURCES OF ACETYL-COA UNDER NONSTEADY-STATE CONDITIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-02-06 WO disclosed
CN-1039596-A Preparation method in conjunction with the peptide of retroviral Protease SMITHKLINE BECKMAN CORP (US) 1990-02-14 CN disclosed
US-4204056-A Process and intermediates for preparing fiber-reactive phthalocyanine dyes CASSELLA AKTIENGESELLSCHAFT (DE) 1980-05-20 US disclosed
US-4191686-A FROM SULFONYL HALIDE SUBSTITUTED PARENT BY AMIDATION WITH AROMATIC DIAMINE, DIAZOTIZING, COUPLING TO KETO SUCCINIC ESTER, CYCLIZING, COUPLING TO REACTIVE MOIETY CASSELLA AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed
US-3946028-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3946027-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3943140-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 US 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-10117431-B2 Compounds and methods for improving plant performance KYAT3, KMO, KHK EGLN1 951/4885LDHA 2012/4885SRR 191/4885
US-20160345577-A1 Compounds And Methods for Improving Plant Performance KYAT3, KMO, KHK EGLN1 951/4885LDHA 2012/4885SRR 191/4885
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION IRF3, TLR3, TLR4 EGLN1 4621/4885LDHA 4806/4885SRR 2944/4885

“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.