SCHEMBL873678

SCHEMBL873678

CC(C)CC(C)(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR2 Q92731 3/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.42
KMT2A Q03164 4/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.40
ESR1 P03372 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TTR P02766 1/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2D O15399 3/20 0.40

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
SCHEMBL10952717 0.84 CYP2C19 (0.44) CYP2C19ALDH1A1CYP2D6HSD17B10ESR2
SCHEMBL14804859 0.83 TSHR (0.44) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL31328395 0.82 CYP2C19 (0.50) CYP2C19ALDH1A1CYP2D6HSD17B10GAA
SCHEMBL5696503 0.82 SMN1; SMN2 (0.47) CYP2C19ALDH1A1CYP2D6HSD17B10GAA
SCHEMBL872854 0.81 CYP2C19 (0.46) CYP2C19ALDH1A1CYP2D6HSD17B10ESR2
SCHEMBL15119902 0.81 ALDH1A1 (0.42) CYP2C19ALDH1A1CYP2D6HSD17B10ESR2
SCHEMBL12197913 0.81 KMT2A (0.54) ALDH1A1HIF1AKMT2AMEN1CYP1A2
SCHEMBL12197912 0.81 SLC6A4 (0.39) CYP2C19ALDH1A1CYP2D6GAASMN1; SMN2
SCHEMBL10970776 0.79 CYP2C19 (0.41) CYP2C19ALDH1A1CYP2D6HSD17B10ESR2
SCHEMBL6277129 0.79 TAAR1 (0.43) CYP2C19ALDH1A1CYP2D6HSD17B10ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110144139-B Zinc oxide-based nanoparticle ink and photoelectric device 纳晶科技股份有限公司 2022-01-18 CN claimed
CN-110144139-A A kind of zinc oxide base nano particle ink and photoelectric device 纳晶科技股份有限公司 2019-08-20 CN claimed
EP-0266161-B1 LIQUID ORGANIC PEROXIDE COMPOSITIONS AUSIMONT S.p.A. (IT) 1992-01-22 EP claimed
JP-3191796-A None JP disclosed
JP-1311043-A None JP disclosed
CN-112955250-B Method and device for carrying out chemical reactions under elevated pressure 巴斯夫欧洲公司 2024-06-11 CN disclosed
CN-109482368-B Preparation method and using equipment of ultrasonic pretreatment coal slime flotation reagent 华北理工大学 2024-05-28 CN disclosed
US-11850578-B2 Method and apparatus for performing a chemical reaction under elevated pressure BASF SE (DE) 2023-12-26 US disclosed
US-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
CN-110144139-B Zinc oxide-based nanoparticle ink and photoelectric device 纳晶科技股份有限公司 2022-01-18 CN disclosed
US-20210322941-A1 METHOD AND APPARATUS FOR PERFORMING A CHEMICAL REACTION UNDER ELEVATED PRESSURE BASF SE (DE) 2021-10-21 US disclosed
US-5298564-A Crosslinker is 2,4-diphenyl-4-methyl-1-pentene NIPPON OIL & FATS CO., LTD. (JP) 1994-03-29 US disclosed
EP-0453204-A1 Composition for cross-linking of ethylene-polymer, method for cross-linking ethylene-polymer, and cross-linkable composition NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-10-23 EP disclosed
JP-H03191796-A PRODUCTION OF OPTICALLY ACTIVE 1-PARA-ISOBUTYLPHENYLETHANOL AND ITS CARBOXYLIC ACID ESTER DAICEL CHEM IND LTD 1991-08-21 JP disclosed
JP-H01311043-A PROCESS FOR RECYCING CATALYST IN CARBONYLATION OF ISOBUTYLPHENYL ETHANOL INTO IBUPROFEN HOECHST CELANESE CORP 1989-12-15 JP disclosed
EP-0337803-A1 Catalyst recycle in the carbonylation of isobutylphenylethanol to ibuprofen HOECHST CELANESE CORPORATION (US) 1989-10-18 EP disclosed
EP-0337803-A1 Catalyst recycle in the carbonylation of isobutylphenylethanol to ibuprofen HOECHST CELANESE CORPORATION (US) 1989-10-18 EP disclosed
EP-0337803-A1 Catalyst recycle in the carbonylation of isobutylphenylethanol to ibuprofen HOECHST CELANESE CORPORATION (US) 1989-10-18 EP disclosed
US-4601797-A Electrochemical carboxylation of p-isobutylacetophenone and other aryl ketones MONSANTO COMPANY (US) 1986-07-22 US disclosed
US-4582577-A Electrochemical carboxylation of p-isobutylacetophenone MONSANTO COMPANY (US) 1986-04-15 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-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 CYP2C19 2758/4885ALDH1A1 3093/4885CYP2D6 2826/4885

“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.