SCHEMBL718918

SCHEMBL718918

Cc1[c]c2ccccc2c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.36
CYP2A6 P11509 3/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
AHR P35869 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
CASP7 P55210 1/20 0.30
ATM Q13315 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL2336588 0.82 CYP1A2 (0.41) CYP1A2CYP2A6TSHRL3MBTL1NPC1
SCHEMBL4802410 0.80 KDM4E (0.39) CYP1A2CYP2A6TSHRALDH1A1HPGD
SCHEMBL4802412 0.77 CYP1A2 (0.35) CYP1A2CYP2A6TSHRL3MBTL1NPC1
SCHEMBL9802587 0.76 CYP1A2 (0.36) CYP1A2CYP2A6ALDH1A1
SCHEMBL2455965 0.74 CYP1A2 (0.31) CYP1A2TSHRL3MBTL1CYP3A4HPGD
SCHEMBL6048372 0.73 ACHE (0.39) CYP1A2TSHRALDH1A1
SCHEMBL15380671 0.71 CYP1A2 (0.36) CYP1A2CYP2A6TSHRL3MBTL1AHR
SCHEMBL22499794 0.70 CYP1A2 (0.39) CYP1A2CYP2A6TSHRL3MBTL1NPC1
SCHEMBL2153512 0.69 ALDH1A1 (0.41) CYP1A2CYP2A6TSHRL3MBTL1AHR
SCHEMBL3524997 0.68 CYP1A2 (0.33) CYP1A2CYP2A6TSHRALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611171-A1 CHROMIUM-BASED CATALYSTS IN MINERAL OIL FOR PRODUCTION OF POLYETHYLENE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-01-04 EP claimed
WO-2004094489-A1 CHROMIUM-BASED CATALYSTS IN MINERAL OIL FOR PRODUCTION OF POLYETHYLENE UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-11-04 WO claimed
EP-0570869-B1 Aryl esters of phosphinous acids HOECHST AG (DE) 1997-12-17 EP claimed
US-5298644-A Aryl phosphinites HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-29 US claimed
WO-2024135508-A1 COMPOUND, ORGANIC THIN FILM, PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR AND SOLID-STATE IMAGING DEVICE 三菱瓦斯化学株式会社 2024-06-27 WO disclosed
WO-2023167234-A1 COMPOUND, ORGANIC THIN FILM, PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR AND SOLID-STATE IMAGING DEVICE 三菱瓦斯化学株式会社 2023-09-07 WO disclosed
US-11326006-B2 Organic thin-film transistor and polymer compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2022-05-10 US disclosed
US-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2022-03-03 US disclosed
EP-3904337-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL FUJIFILM Wako Pure Chemical Corporation (JP) 2021-11-03 EP disclosed
CN-113540359-A Self-driven short wave infrared response organic photoelectric synapse flexible device and application thereof 中国科学院大学 2021-10-22 CN disclosed
CN-108780924-B Electrolyte containing magnesium ions 富士胶片和光纯药株式会社 2021-09-24 CN disclosed
US-20210280870-A1 POSITIVE ELECTRODE ACTIVE MATERIAL FOR MAGNESIUM BATTERIES FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2021-09-09 US disclosed
US-4405356-A Ester derivatives of N-arylsulfinyl-N-phosphonomethylglycinates as herbicides MONSANTO COMPANY (US) 1983-09-20 US disclosed
US-4401604-A Process for preparing thiosulfenamide derivatives of N-phosphonomethylglycine triesters MONSANTO COMPANY (US) 1983-08-30 US disclosed
US-4401455-A REACTING AN N-DIARYLPHOSPHONOMETHYL GLYCINE ESTER WITH AN ALKYL SULFENYL CHLORIDE; POSTEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1983-08-30 US disclosed
US-4395276-A Thiosulfenamide derivatives of N-phosphonomethylglycinonitriles as herbicides MONSANTO COMPANY (US) 1983-07-26 US disclosed
US-4359404-A Hydrogenation of esters using alkali doped heterogeneous Group VIII transition metal catalysts ALLIED CORPORATION (US) 1982-11-16 US disclosed
US-4346240-A Hydrogenation of esters using alkali doped heterogeneous group VIII transition metal catalysts ALLIED CORPORATION (US) 1982-08-24 US disclosed
EP-0036939-A1 Hydrogenation of esters using alkali doped heterogeneous group VIII transition metal catalysts ALLIED CORPORATION (US) 1981-10-07 EP disclosed
US-4127497-A Michael adducts of (substituted) cyclopentadiene and esters: a process therefor and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1978-11-28 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-20220069354-A1 SULFUR-BASED ELECTROLYTE SOLUTION FOR MAGNESIUM CELL SLC26A3, PRDX4, PRDX2 CYP1A2 3884/4885CYP2A6 1852/4885TSHR 345/4885

“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.