Sugi Predict

Sugi Predict / Compounds / SCHEMBL2418232

SCHEMBL2418232

SCHEMBL2418232

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.53
▸ TAAR1 Q96RJ0 3/20 0.50
▸ TRPA1 O75762 4/20 0.48
▸ AOC3 Q16853 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CACNA1D Q01668 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CACNA1S Q13698 1/20 0.41
▸ CACNA1C Q13936 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ LMNA P02545 1/20 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
Acetic Acid SCHEMBL28405440 0.92 RIPK1 (0.47) RIPK1TAAR1TRPA1AOC3
SCHEMBL5664123 0.82 RIPK1 (0.63) RIPK1TAAR1TRPA1AOC3SLC6A3
SCHEMBL27506266 0.80 RIPK1 (0.47) RIPK1TAAR1TRPA1AOC3SLC6A3
SCHEMBL18567480 0.79 RIPK1 (0.50) RIPK1TAAR1TRPA1AOC3SLC6A4
SCHEMBL29114549 0.79 TAAR1 (0.47) RIPK1TAAR1TRPA1AOC3SLC6A3
SCHEMBL20342289 0.79 TRPA1 (0.50) RIPK1TAAR1TRPA1AOC3SLC6A3
SCHEMBL18567132 0.79 TRPA1 (0.50) RIPK1TAAR1TRPA1AOC3SLC6A3
SCHEMBL20427677 0.78 RIPK1 (0.53) RIPK1TAAR1TRPA1AOC3SLC6A3
SCHEMBL3196437 0.78 RIPK1 (0.57) RIPK1AOC3SLC6A3SLC6A4LMNA
SCHEMBL21322418 0.78 TAAR1 (0.56) RIPK1TAAR1TRPA1AOC3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114096235-A Antimicrobial compositions 弗门尼舍有限公司 2022-02-25 — — CN claimed
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-2722323-B1 Process for the preparation of 2-methyl-4-phenyl-2-pentanol BASF SE (DE) 2018-11-28 — — EP claimed
EP-2755938-B1 METHOD FOR PRODUCING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2017-03-01 — — EP claimed
CN-106187685-A The method preparing 4 cyclohexyl 2 methyl 2 butanol 巴斯夫欧洲公司 2016-12-07 — — CN claimed
US-20160311741-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2016-10-27 — — US claimed
CN-105967975-A Process for the preparation of 4-cyclohexyl-2-methyl-2-butanol 巴斯夫欧洲公司 2016-09-28 — — CN claimed
US-20150246864-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2015-09-03 — — US claimed
US-20150225325-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2015-08-13 — — US claimed
CN-103796980-A Process for preparing 4-cyclohexyl-2-methyl-2-butanol BASF SE 2014-05-14 — — CN claimed
EP-2722323-A2 Process for the preparation of 2-methyl-4-phenyl-2-pentanol BASF SE (DE) 2014-04-23 — — EP claimed
EP-2550248-B1 PROCESS FOR THE PREPARATION OF 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2014-03-19 — — EP claimed
US-20130245132-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2013-09-19 — — US claimed
WO-2013037737-A1 METHOD FOR PRODUCING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2013-03-21 — — WO claimed
US-20130072726-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2013-03-21 — — US claimed
EP-2550248-A2 PROCESS FOR THE PREPARATION OF 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2013-01-30 — — EP claimed
CN-102822130-A Process for preparing 4-cyclohexyl-2-methyl-2-butanol BASF SE 2012-12-12 — — CN claimed
WO-2011117360-A2 PROCESS FOR THE PREPARATION OF 4-CYCLOHEXYL-2-METHYL-2-BUTANOL BASF SE (DE) 2011-09-29 — — WO claimed
US-20110237684-A1 Process for preparing 4-cyclohexyl-2-methyl-2-butanol BASF SE (DE) 2011-09-29 — — 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 (5 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-20150225325-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL CYP4B1, HPD, ADH1C RIPK1 3197/4885TAAR1 2103/4885TRPA1 3265/4885
US-20110237684-A1 Process for preparing 4-cyclohexyl-2-methyl-2-butanol CYP4B1, HPD, ADH1C RIPK1 3197/4885TAAR1 2103/4885TRPA1 3265/4885
US-20160311741-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL ADH1C, CYP4B1, ADH1A RIPK1 2895/4885TAAR1 2581/4885TRPA1 3867/4885
US-20130072726-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL ADH1C, CYP4B1, ADH1A RIPK1 2895/4885TAAR1 2581/4885TRPA1 3867/4885
US-20150246864-A1 PROCESS FOR PREPARING 4-CYCLOHEXYL-2-METHYL-2-BUTANOL ADH1C, CYP4B1, ADH1A RIPK1 2895/4885TAAR1 2581/4885TRPA1 3867/4885

“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.