SCHEMBL6725263

SCHEMBL6725263

CCC(C)(CC)OC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 4/20 0.32
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 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
Bicarbonate SCHEMBL28030612 0.93 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19ALDH1A1MEN1
SCHEMBL5014180 0.84 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C19THRB
SCHEMBL28641336 0.82 CYP1A2 (0.33) CYP1A2CYP2D6CYP2C19
SCHEMBL11331559 0.80 ALDH1A1 (0.36) CYP1A2CYP2D6CYP2C19ALDH1A1GAA
SCHEMBL11798697 0.79 CES2 (0.40) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL11793094 0.79 CES2 (0.40) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL6725242 0.78 CYP2D6 (0.35) CYP1A2CYP2D6CYP2C19GAATSHR
SCHEMBL475145 0.78
SCHEMBL1584536 0.78 GAA (0.48) CYP1A2CYP2D6CYP2C19ALDH1A1GAA
Benzene SCHEMBL11799767 0.77 CYP2C19 (0.43) CYP1A2CYP2D6CYP2C19ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111320715-B Ultrahigh molecular weight polyolefin catalyst, and preparation method and application thereof 叶平山 2022-10-04 CN claimed
US-20240150359-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2024-05-09 US disclosed
EP-4320128-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2024-02-14 EP disclosed
US-11851438-B2 1′-cyano nucleoside analogs and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-12-26 US disclosed
US-11845755-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-12-19 US disclosed
US-11780844-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-10-10 US disclosed
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-21 US disclosed
WO-2023167944-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2023-09-07 WO disclosed
US-20230279015-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-09-07 US disclosed
EP-0666254-A1 2-Aroylcydohexanediones, process for their preparation and their use as herbicide or as plant growth regulating agent BASF AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
EP-0625976-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES. BASF AG (DE) 1994-11-30 EP disclosed
EP-0625975-A1 CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES. BASF AG (DE) 1994-11-30 EP disclosed
EP-0625974-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-11-30 EP disclosed
WO-1994004489-A1 CYCLOHEXENONOXIME ETHERS, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1994-03-03 WO disclosed
WO-1993016062-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed
WO-1993016063-A1 CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed
WO-1993016061-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 WO disclosed
US-4281329-A CONTAINING A CARBONIC ACID ESTER; FOR INK JET PRINTING CANON KABUSHIKI KAISHA (JP) 1981-07-28 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 (7 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-11780844-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, OAT CYP1A2 2564/4885CYP2D6 1897/4885CYP2C19 3306/4885
US-20240150359-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT CYP1A2 2564/4885CYP2D6 1897/4885CYP2C19 3306/4885
US-20230279015-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT CYP1A2 2564/4885CYP2D6 1897/4885CYP2C19 3306/4885
US-11851438-B2 1′-cyano nucleoside analogs and methods for treatment of viral infections TYMP, PNP, SAMHD1 CYP1A2 1894/4885CYP2D6 1354/4885CYP2C19 2110/4885
US-20230279013-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT CYP1A2 2564/4885CYP2D6 1897/4885CYP2C19 3306/4885
US-11845755-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, OAT CYP1A2 2564/4885CYP2D6 1897/4885CYP2C19 3306/4885
US-20230295172-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, OAT CYP1A2 2564/4885CYP2D6 1897/4885CYP2C19 3306/4885

“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.