SCHEMBL610682

SCHEMBL610682

CC(C)CCOC(=O)OCCC(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPK1 P28482 3/20 0.46
PKM P14618 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
PPARG P37231 1/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.37

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
SCHEMBL17075163 1.00 CA1 (0.50) CA1CA12CA2CA9MAPK1
Bicarbonate SCHEMBL28723134 0.95 CA1 (0.46) CA1CA12CA2CA9MAPK1
SCHEMBL5009623 0.91 CA12 (0.43) CA1CA12CA2CA9MAPK1
SCHEMBL13301164 0.91 TSHR (0.43) CA1CA12CA2CA9MAPK1
SCHEMBL5511449 0.91 ALDH1A1 (0.59) CA1CA12CA2CA9MAPK1
SCHEMBL14311948 0.90 CA1 (0.46) CA1CA12CA2CA9MAPK1
SCHEMBL305153 0.90 MAPK1 (0.47) CA1CA12CA2CA9MAPK1
SCHEMBL305977 0.89 CA1 (0.42) CA1CA12CA2CA9MAPK1
SCHEMBL697801 0.89 CA1 (0.42) CA1CA12CA2CA9MAPK1
SCHEMBL312855 0.89 CA1 (0.42) CA1CA12CA2CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024191025-A1 COSMETIC COMPOSITION COMPRISING CAPSULES OR BEADS 한국콜마주식회사 2024-09-19 WO claimed
CN-112240239-A Compression ignition internal combustion engine using reactive agent 周氏(北京)汽车技术有限公司 2021-01-19 CN claimed
CN-107207422-B Low by-product polyphenylene polymethylene polyisocyanate 巴斯夫欧洲公司 2020-12-11 CN claimed
EP-3250622-B1 POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES WITH LOW BY-PRODUCTS BASF SE (DE) 2018-11-07 EP claimed
EP-2418723-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2018-09-19 EP claimed
EP-2895495-B1 ISOXAZOLIDINE DERIVATIVES CHIESI FARM SPA (IT) 2018-05-16 EP claimed
US-20180009742-A1 LOW BY-PRODUCT CONTENT POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES BASF SE (DE) 2018-01-11 US claimed
EP-3250622-A1 LOW-BY-PRODUCT POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES BASF SE (DE) 2017-12-06 EP claimed
WO-2016120167-A1 LOW-BY-PRODUCT POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES BASF SE (DE) 2016-08-04 WO claimed
EP-1981598-B1 PLASTICIZER OF NATURAL ORIGIN FOR NAIL POLISH CHROMADURLIN (FR) 2015-05-13 EP claimed
WO-2009115538-A1 METHOD FOR PRODUCING URETHANES COMPOSED OF MONO AND DI-FUNCTIONAL AROMATIC AMINES BASF SE (DE) 2009-09-24 WO claimed
EP-1981598-A2 PLASTICIZER OF NATURAL ORIGIN FOR NAIL POLISH Durlin France (FR) 2008-10-22 EP claimed
US-20070286828-A1 Varnish composition based on a solvent exclusively of vegetable origin DURLIN FRANCE (FR) 2007-12-13 US claimed
CN-101084043-A Varnish composition based on a solvent exclusively of vegetable origin DURLIN FRANCE (FR) 2007-12-05 CN claimed
WO-2007080172-A2 PLASTICIZER OF NATURAL ORIGIN FOR NAIL POLISH DURLIN FRANCE (FR) 2007-07-19 WO claimed
US-20040121240-A1 Non-aqueous electrolyte and lithium secondary battery using the same UBE INDUSTRIES, LTD. 2004-06-24 US claimed
US-20030148190-A1 Non-aqueous electrolyte and lithium secondary battery using the same UBE INDUSTRIES, LTD. (JP) 2003-08-07 US claimed
EP-0757399-B1 Non-aqueous electrolyte and lithium secondary battery SUMITOMO CHEMICAL CO (JP) 2003-04-02 EP claimed
US-6479191-B1 COMPRISING A NON-AQUEOUS SOLVENT, AN ELECTROLYTE SALT DISSOLVED THEREIN AND AT LEAST ONE ALKYNE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2002-11-12 US claimed
US-4238206-A TERTIARY AMINE OR CARBONATE SOLVENT COLUMBIA GAS SYSTEM SERVICE CORPORATION (US) 1980-12-09 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 (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-20180009742-A1 LOW BY-PRODUCT CONTENT POLYPHENYLENE POLYMETHYLENE POLYISOCYANATES C9, PKD1, PCNA CA1 99/4885CA12 129/4885CA2 105/4885

“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.