SCHEMBL514995

SCHEMBL514995

COCCOC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
LMNA P02545 2/20 0.69
TDP1 Q9NUW8 2/20 0.68
KMT2A Q03164 2/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
ALDH1A1 P00352 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPT P10636 1/20 0.51

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
Ammonia Solution, Strong SCHEMBL27732716 0.98 TSHR (0.67) TSHRLMNATDP1KMT2AMAPK1
Hydrochloric Acid SCHEMBL28478926 0.98 TSHR (0.67) TSHRLMNATDP1KMT2AMAPK1
SCHEMBL16248436 0.94 TSHR (0.62) TSHRLMNATDP1KMT2AMAPK1
SCHEMBL17932907 0.94 TSHR (0.62) TSHRLMNATDP1KMT2AMAPK1
SCHEMBL1372828 0.94 TSHR (0.62) TSHRLMNATDP1KMT2AMAPK1
Hydrochloric Acid SCHEMBL28152832 0.93 TSHR (0.61) TSHRLMNATDP1KMT2AMAPK1
Propene SCHEMBL14059331 0.91 TSHR (0.59) TSHRLMNATDP1KMT2AMAPK1
Propene SCHEMBL2507960 0.91 TSHR (0.59) TSHRLMNATDP1KMT2AMAPK1
SCHEMBL9969969 0.90 TSHR (0.64) TSHRLMNATDP1MAPK1SLC6A2
SCHEMBL137486 0.89 TDP1 (0.83) TSHRLMNATDP1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12365785-B2 Glycol ether aryl ester plasticizer EASTMAN CHEMICAL COMPANY (US) 2025-07-22 US claimed
CN-117929549-A Method for detecting two genotoxic impurities and application thereof 北京海美源医药科技有限公司 2024-04-26 CN claimed
CN-113493443-B Application of erlotinib derivative in preparation of medicines for treating esophageal cancer 侯延生 2023-06-27 CN claimed
CN-115926331-A Polybutene-1 alloy and preparation method thereof 中国石油天然气股份有限公司 2023-04-07 CN claimed
US-20220227962-A1 GLYCOL ETHER ARYL ESTER PLASTICIZER EASTMAN CHEMICAL COMPANY (US) 2022-07-21 US claimed
EP-3990532-A1 GLYCOL ETHER ARYL ESTER PLASTICIZER Eastman Chemical Company (US) 2022-05-04 EP claimed
CN-114008119-A Glycol ether aryl ester plasticizers 伊士曼化工公司 2022-02-01 CN claimed
CN-113493443-A Erlotinib derivative with killing performance on wild lung cancer tumor cells and preparation method thereof 侯延生 2021-10-12 CN claimed
CN-106916067-B Preparation method of erlotinib hydrochloride key intermediate 江苏豪森药业集团有限公司 2021-07-06 CN claimed
CN-108341902-B Catalyst component for ethylene polymerization, preparation method thereof and catalyst for ethylene polymerization 中国石油化工股份有限公司 2021-07-02 CN claimed
US-20120157295-A1 Process for Producing Procatalyst Composition with Alkoxyalkyl Ester Internal Electron Donor and Product W. R. GRACE & CO. - CONN. 2012-06-21 US claimed
US-20090321646-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID(S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2009-12-31 US claimed
EP-1904828-A4 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER AUSTRALIAN WINE RES INST (AU) 2008-11-19 EP claimed
EP-1904828-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER The Australian Wine Research Institute (AU) 2008-04-02 EP claimed
WO-2007006099-A1 NON-DESTRUCTIVE ANALYSIS BY VIS-NIR SPECTROSCOPY OF FLUID (S) IN ITS ORIGINAL CONTAINER THE AUSTRALIAN WINE RESEARCH INSTITUTE (AU) 2007-01-18 WO claimed
WO-2002033404-A2 INTEGRATED WINE QUALITY SENSOR TRAUNER KENNETH B (US) 2002-04-25 WO claimed
EP-0247737-B1 THERMAL TRANSFER PRINTING IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-08 EP claimed
US-4808568-A AZOPYRIDONE YELLOW DYE COATING ON SHEET; BRIGHTNESS, LIGHTFASTNESS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-28 US claimed
EP-0247737-A1 Thermal transfer printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-02 EP claimed
US-4221566-A POLYAMIDE FIBERS, DISPERSE BLUE 79 VELSICOL CHEMICAL CORPORATION (US) 1980-09-09 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 (2 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-12365785-B2 Glycol ether aryl ester plasticizer DAGLA, DDT, PPARG TSHR 2825/4885LMNA 1384/4885TDP1 1253/4885
US-20220227962-A1 GLYCOL ETHER ARYL ESTER PLASTICIZER DAGLA, DDT, PPARG TSHR 2825/4885LMNA 1384/4885TDP1 1253/4885

“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.