SCHEMBL3640978

SCHEMBL3640978

CCc1ccc(O)c(C(C)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.51
TRPA1 O75762 1/20 0.48
TSHR P16473 1/20 0.42
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
ESR1 P03372 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
KCNE1 P15382 1/20 0.40
CHRM3 P20309 1/20 0.40
PTGS1 P23219 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 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
SCHEMBL29668422 1.00 TYR (0.51) TYRTRPA1TSHRERCC1ERCC4
SCHEMBL51701 0.86 TRPA1 (0.59) TRPA1TSHRMAPTLMNAESR1
SCHEMBL3638975 0.85 GABRA1 (0.53) TYRTRPA1TSHRERCC1ERCC4
SCHEMBL6054819 0.85 TRPA1 (0.50) TYRTRPA1TSHRMAPTLMNA
SCHEMBL51302 0.85 TRPA1 (0.50) TYRTRPA1TSHRERCC1ERCC4
SCHEMBL11414960 0.84 TYR (0.46) TYRHTR2AOPRK1GAAHTT
SCHEMBL28318580 0.83 KAT8 (0.50) TYRLMNAESR1HTR2ASLC6A4
SCHEMBL3640374 0.83 TYR (0.50) TYRTRPA1TSHRLMNAESR1
SCHEMBL11881888 0.82 KAT8 (0.52) LMNAESR1CHRM2CHRM5CHRM1
SCHEMBL3111015 0.82 KAT8 (0.52) LMNAESR1CHRM2CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114635047-B Method for extracting cesium in salt lake brine 中国科学院过程工程研究所 2023-05-23 CN claimed
CN-114635047-A Method for extracting cesium in salt lake brine 中国科学院过程工程研究所 2022-06-17 CN claimed
CN-104130108-A Synthetic method for novel rubidium extractant 4-ethyl-2(alpha-methylbenzyl)phenol UNIV CHENGDU TECHNOLOGY 2014-11-05 CN claimed
CN-114635047-B Method for extracting cesium in salt lake brine 中国科学院过程工程研究所 2023-05-23 CN disclosed
CN-104130108-B A kind of rubidium extraction agent 4-ethyl-2(α-methylbenzyl) synthetic method of phenol CHENGDU UNIVERSITY OF TECHNOLOGY (CN) 2016-04-06 CN disclosed
CN-104130108-B A kind of rubidium extraction agent 4-ethyl-2(α-methylbenzyl) synthetic method of phenol CHENGDU UNIVERSITY OF TECHNOLOGY (CN) 2016-04-06 CN disclosed
CN-104130108-A Synthetic method for novel rubidium extractant 4-ethyl-2(alpha-methylbenzyl)phenol UNIV CHENGDU TECHNOLOGY 2014-11-05 CN disclosed
CN-104130108-A Synthetic method for novel rubidium extractant 4-ethyl-2(alpha-methylbenzyl)phenol UNIV CHENGDU TECHNOLOGY 2014-11-05 CN disclosed
CN-104130108-A Synthetic method for novel rubidium extractant 4-ethyl-2(alpha-methylbenzyl)phenol UNIV CHENGDU TECHNOLOGY 2014-11-05 CN disclosed
CN-101966399-A Synergic extractant for extracting rubidium salt from brine and extraction method thereof QINGHAI INST SALT LAKES CAS 2011-02-09 CN disclosed
EP-2162518-A1 LUBRICANT COMPOSITIONS STABILIZED WITH STYRENATED PHENOLIC ANTIOXIDANT CHEMTURA CORPORATION (US) 2010-03-17 EP disclosed
US-20090011961-A1 Lubricant compositions stabilized with styrenated phenolic antioxidant CROMPTON HOLDING CORPORATION 2009-01-08 US disclosed
US-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1675814-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-07-05 EP disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005037763-A1 PHENOXYETHER DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-28 WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed
US-4950810-A Selective process for preparting 2,4- or 3,6-di-substituted phenol compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-08-21 US disclosed
EP-0335674-A2 Selective process for preparing 2,4- or 3,6-di-substituted phenol compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-10-04 EP 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-20070037812-A1 Such as 3-{4-[3-(4-Chloro-2- phenoxy-phenoxy)- phenoxy]-2-methyl- phenyl}-propionic acid; peroxisome proliferator activated receptor (PPAR); syndrome X, type II diabetes, hyperglycemia, hyperlipidemia, obesity, coagaulopathy, hypertension, arteriosclerosis PPARA, PPARG, PPARD TYR 4002/4885TRPA1 2463/4885TSHR 2621/4885

“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.