SCHEMBL5634504

SCHEMBL5634504

CC(C)Oc1ccc(/C=C/C=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.66
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
PARP10 Q53GL7 1/20 0.47
LMNA P02545 2/20 0.47
TRPA1 O75762 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
XDH P47989 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5634506 1.00 ALDH1A3 (0.66) ALDH1A3ALDH1A1KDM4EMAPTPARP10
SCHEMBL6969022 0.93 ALDH1A3 (0.61) ALDH1A3ALDH1A1KDM4EMAPTPARP10
SCHEMBL6969015 0.93 ALDH1A3 (0.61) ALDH1A3ALDH1A1KDM4EMAPTPARP10
SCHEMBL30384506 0.85 ALDH1A3 (0.47) ALDH1A3ALDH1A1KDM4EMAPTPARP10
SCHEMBL20024678 0.83 ALDH1A3 (0.68) ALDH1A3KDM4EPARP10LMNATRPA1
SCHEMBL16963585 0.81 DRD1 (0.59) ALDH1A3ALDH1A1KDM4EMAPTLMNA
SCHEMBL16963584 0.81 DRD1 (0.59) ALDH1A3ALDH1A1KDM4EMAPTLMNA
SCHEMBL384361 0.79 ALDH1A3 (1.00) ALDH1A3ALDH1A1KDM4EMAPTPARP10
SCHEMBL9111858 0.79 ALDH1A3 (0.53) ALDH1A3ALDH1A1KDM4EPARP10LMNA
SCHEMBL2470272 0.79 APP (0.57) ALDH1A3ALDH1A1KDM4EMAPTPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558851-B Coumarin-oxazole-ethylene type alpha-glucosidase inhibitor and preparation method and application thereof 贵州医科大学 2021-03-05 CN disclosed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
US-7262296-B2 Substituted aryl alkenoic acid heterocyclic amides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-08-28 US disclosed
US-7262296-B2 Substituted aryl alkenoic acid heterocyclic amides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-08-28 US disclosed
US-7262296-B2 Substituted aryl alkenoic acid heterocyclic amides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-08-28 US disclosed
US-7057040-B2 Substituted aryl alkenoic acid heterocyclic amides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-06-06 US disclosed
US-20060094874-A1 Novel substituted aryl alkenoic acid heterocyclic amides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2006-05-04 US disclosed
EP-0783496-B9 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-03 EP disclosed
US-20030161860-A1 Novel substituted aryl alkenoic acid heterocyclic amides COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-08-28 US disclosed
EP-0783496-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-6147099-A USEFUL AS ANTI-DIABETICS OR HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2000-11-14 US disclosed
US-5972970-A COMPOUNDS SUCH AS 5-(3-(2-(2-(5-METHYL-2-PHENYL-4-OXAZOLYL) ETHOXYL-5-PYRIDYL)PROPYL)-2,4-OXAZOLIDINEDIONE; ADMINISTERING TO TREAT A MAMMAL SUFFERING FROM DIABETES OR HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
US-5965589-A AN ACTIVE MATERIAL HAVING HYPOGLYCEMIC ACTIVITY AND BLOOD LIPID LOWERING ACTIVITY, FOR USE AS AN ANTIDIABETIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-12 US disclosed
EP-0612743-B1 Oxazolidinedione derivatives, their production and use in lowering blood sugar and lipid levels TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-10 EP disclosed
US-5665748-A ANTIDIABETIC, HYPOLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-09 US disclosed
EP-0783496-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-16 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
WO-1996005186-A1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-22 WO disclosed
EP-0612743-A1 Oxazolidinedione derivatives, their production and use in lowering blood sugar and lipid levels TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-31 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 ALDH1A3 1744/4885ALDH1A1 160/4885KDM4E 3266/4885
US-20060094874-A1 Novel substituted aryl alkenoic acid heterocyclic amides FABP1, LIPC, FABP2 ALDH1A3 288/4885ALDH1A1 55/4885KDM4E 1636/4885
US-20030161860-A1 Novel substituted aryl alkenoic acid heterocyclic amides FABP1, LIPC, FABP2 ALDH1A3 288/4885ALDH1A1 55/4885KDM4E 1636/4885

“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.