SCHEMBL1821847

SCHEMBL1821847

CC(=O)[CH]c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
AKR1C3 P42330 1/20 0.54
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
RECQL P46063 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PLIN1 O60240 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
PLIN5 Q00G26 2/20 0.46
ABHD5 Q8WTS1 2/20 0.46
TNKS O95271 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL7520233 0.78 ALDH1A1 (0.50) GLATDP1AKR1C3ALDH1A1TSHR
SCHEMBL21268022 0.78 ALDH1A1 (0.46) GLATDP1AKR1C3ALDH1A1TSHR
SCHEMBL142531 0.78 HDAC1 (0.56) GLATDP1AKR1C3ALDH1A1TSHR
SCHEMBL28187249 0.77 ALDH1A1 (0.56) ALDH1A1TSHRLMNAMAPTHCAR2
SCHEMBL1681787 0.77 AKR1C3 (0.47) GLATDP1AKR1C3ALDH1A1TSHR
(Z)-1,2-Diphenylethene SCHEMBL7706161 0.76 GLA (0.70) GLATDP1AKR1C3ALDH1A1RECQL
(Z)-1,2-Diphenylethene SCHEMBL7706163 0.76 GLA (0.70) GLATDP1AKR1C3ALDH1A1RECQL
SCHEMBL176636 0.76 MAPT (0.48) GLATDP1AKR1C3ALDH1A1TSHR
Butenone SCHEMBL12984182 0.75 TDP1 (1.00) GLATDP1ALDH1A1RECQLHDAC3
Benzaldehyde SCHEMBL28530177 0.75 ALDH1A1 (0.67) GLATDP1AKR1C3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115385863-A Synthetic method of 3- (diethoxymethyl) -1-alkyl-2 (1H) -quinoxalinone derivative 河南师范大学 2022-11-25 CN claimed
CN-110218194-A A kind of the 3- methyl-quinoxaline -2- carboxylic acid and its synthetic method of stable isotope labeling 上海安谱实验科技股份有限公司 2019-09-10 CN claimed
EP-2234987-B1 PERHYDROQUINOXALINE DERIVATIVES AS ANALGESICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2012-12-12 EP claimed
US-7935847-B2 Nitroxyl ion source with second order reaction nitroxyl release DUKE UNIVERSITY (US) 2011-05-03 US claimed
US-20100311761-A1 PERHYDROQUINOXALINE DERIVATIVES DR. AUGUST WOLFF GMBH & CO. KG - ARZNEIMITTEL (DE) 2010-12-09 US claimed
EP-2234987-A2 PERHYDROQUINOXALINE DERIVATIVES AS ANALGESICS Dr. August Wolff GmbH & Co. KG Arzneimittel (DE) 2010-10-06 EP claimed
WO-2009080745-A2 PERHYDROQUINOXALINE DERIVATIVES Westfälische Wilhelms Universität Münster (DE) 2009-07-02 WO claimed
US-7173156-B1 Thioacetate deprotection THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-02-06 US claimed
US-RE37781-E1 VIRICIDES, PROTEASE INHIBITOR DUPONT PHARMACEUTICALS COMPANY 2002-07-02 US claimed
EP-0691961-B1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE DU PONT PHARM CO (US) 2002-02-13 EP claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-5543517-A VIRICIDES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-06 US claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP claimed
US-4196151-A Process for producing β,γ-unsaturated aldehyde NIPPON OIL AND FATS CO., LTD. (JP) 1980-04-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100311761-A1 PERHYDROQUINOXALINE DERIVATIVES FH, HOGA1, SDHA GLA 3164/4885TDP1 1576/4885AKR1C3 680/4885

“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.