SCHEMBL5511232

SCHEMBL5511232

C=CCOC(=O)n1cccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM1 P11229 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
RHOA P61586 1/20 0.34
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SNCA P37840 1/20 0.33
APP P05067 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
SCHEMBL1100931 0.76 SNCA (0.38) CYP3A4NPSR1TSHRALDH1A1HSD17B10
SCHEMBL1109685 0.73 ALDH1A1 (0.43) TSHRALDH1A1HSD17B10LMNAMAPK1
SCHEMBL10510973 0.72 NPSR1 (0.53) CYP3A4NPSR1TSHRALDH1A1HSD17B10
SCHEMBL5533588 0.72 CYP3A4 (0.43) CYP3A4NPSR1TSHRALDH1A1HSD17B10
SCHEMBL28099494 0.71
SCHEMBL27810242 0.71 ALDH1A1 (0.42) TSHRALDH1A1HSD17B10LMNAMAPK1
Hydrochloric Acid SCHEMBL29837126 0.71 ALDH1A1 (0.42) TSHRALDH1A1HSD17B10LMNAMAPK1
Benzene SCHEMBL3212029 0.70 CYP3A4 (0.54) CYP3A4NPSR1TSHRALDH1A1HSD17B10
SCHEMBL13712855 0.69 TSHR (0.46) CYP3A4NPSR1TSHRALDH1A1HSD17B10
SCHEMBL9233374 0.69 ALDH1A1 (0.33) ALDH1A1LMNAKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115911544-B Nonaqueous electrolyte and lithium battery 张家港市国泰华荣化工新材料有限公司 2024-03-01 CN claimed
CN-115911544-A Non-aqueous electrolyte and lithium battery 张家港市国泰华荣化工新材料有限公司 2023-04-04 CN claimed
CN-105985389-B Phenylethanoid glycoside analogue and synthesis method and application thereof 北京大学 2019-03-19 CN claimed
CN-115911544-B Nonaqueous electrolyte and lithium battery 张家港市国泰华荣化工新材料有限公司 2024-03-01 CN disclosed
CN-115911544-A Non-aqueous electrolyte and lithium battery 张家港市国泰华荣化工新材料有限公司 2023-04-04 CN disclosed
EP-2471796-B1 NOVEL ADDUCT COMPOUND, SOLUTION FOR FORMATION OF ORGANIC SEMICONDUCTOR FILM, METHOD FOR PRODUCING SAID SEMICONDUCTOR FILM AND METHOD FOR SYNTHESIZING SAID ADDUCT COMPOUND TEIJIN LTD (JP) 2019-10-30 EP disclosed
CN-105985389-B Phenylethanoid glycoside analogue and synthesis method and application thereof 北京大学 2019-03-19 CN disclosed
CN-108774274-A Sialic acid methyl esters first glycoside derivates and its synthetic method and application 北京大学 2018-11-09 CN disclosed
CN-108752212-A 9- decarboxylation Rosmarinic acid analogs and its synthetic method and application 北京大学 2018-11-06 CN disclosed
US-9056871-B2 Adduct compound, methods for purification and preparation of fused polycyclic aromatic compound, solution for formation of organic semiconductor film, and novel alpha-diketone compound TEIJIN LIMITED (JP) 2015-06-16 US disclosed
US-20120211731-A1 NOVEL ADDUCT COMPOUND, METHODS FOR PURIFICATION AND PREPARATION OF FUSED POLYCYCLIC AROMATIC COMPOUND, SOLUTION FOR FORMATION OF ORGANIC SEMICONDUCTOR FILM, AND NOVEL ALPHA-DIKETONE COMPOUND TEIJIN LIMITED (JP) 2012-08-23 US disclosed
EP-2471796-A1 NOVEL ADDUCT COMPOUND, METHODS FOR PURIFICATION AND PREPARATION OF FUSED POLYCYCLIC AROMATIC COMPOUND, SOLUTION FOR FORMATION OF ORGANIC SEMICONDUCTOR FILM, AND NOVEL -DIKETONE COMPOUND Teijin Limited (JP) 2012-07-04 EP disclosed
EP-1751233-A1 ELECTROCONDUCTIVE COMPOSITION AND APPLICATION THEREOF SHOWA DENKO KABUSHIKI KAISHA (JP) 2007-02-14 EP disclosed
WO-2005113678-A1 ELECTROCONDUCTIVE COMPOSITION AND APPLICATION THEREOF SHOWA DENKO K.K. (JP) 2005-12-01 WO disclosed
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 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 (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-20120211731-A1 NOVEL ADDUCT COMPOUND, METHODS FOR PURIFICATION AND PREPARATION OF FUSED POLYCYCLIC AROMATIC COMPOUND, SOLUTION FOR FORMATION OF ORGANIC SEMICONDUCTOR FILM, AND NOVEL ALPHA-DIKETONE COMPOUND DDT, SULT1A1, KCNT1 CYP3A4 1099/4885NPSR1 3648/4885TSHR 4202/4885

“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.