SCHEMBL575234

SCHEMBL575234

CCCC(C)(C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
KCNN4 O15554 1/20 0.43
MAPK1 P28482 1/20 0.42
CNR2 P34972 3/20 0.41
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL398002 1.00 TAAR1 (0.56) TAAR1KCNN4MAPK1CNR2CYP2C19
SCHEMBL3368788 0.87 TAAR1 (0.64) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL598065 0.86 TAAR1 (0.52) TAAR1KCNN4MAPK1CNR2ESR1
Hydrogen Peroxide SCHEMBL2318659 0.84 TAAR1 (0.50) TAAR1CNR2ESR1ESR2
SCHEMBL9453768 0.84 CNR2 (0.54) TAAR1CNR2
SCHEMBL399240 0.84 CNR2 (0.54) TAAR1CNR2
SCHEMBL12786796 0.83 ALDH1A1 (0.42) TAAR1CNR2CYP2C19ALDH1A1ESR1
SCHEMBL10174953 0.83 ALDH1A1 (0.42) TAAR1CNR2CYP2C19ALDH1A1ESR1
SCHEMBL3083069 0.82 CNR2 (0.57) TAAR1CNR2
SCHEMBL6506230 0.82 CNR2 (0.57) TAAR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714207-B2 Method for producing aromatic compound from biomass-derived acetic acid SK INNOVATION CO., LTD. (KR) 2017-07-25 US claimed
US-9347916-B2 Process for determining mycotoxin production from a specific chemical fingerprint CENTRE SCIENTIFIQUE ET TECHNIQUE DU BATIMENT (FR) 2016-05-24 US claimed
EP-2568283-B1 Method for determining a specific chemical fingerprint of the production of mycotoxins CT SCIENT TECH BATIMENT CSTB (FR) 2015-11-04 EP claimed
US-20130244272-A1 PROCESS FOR DETERMINING MYCOTOXIN PRODUCTION FROM A SPECIFIC CHEMICAL FINGERPRINT CENTRE SCIENTIFIQUE ET TECHNIQUE DU BATIMENT (FR) 2013-09-19 US claimed
EP-2568283-A1 Method for determining a specific chemical footprint of the production of mycotoxins Centre Scientifique et Technique du Batiment (FR) 2013-03-13 EP claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
US-7368203-B2 Nonaqueous electrolyte secondary cell SANYO ELECTRIC CO., LTD. (JP) 2008-05-06 US claimed
US-20050170258-A1 Nonaqueous electrolyte battery SANYO ELECTRIC CO., LTD. (JP) 2005-08-04 US claimed
EP-0586418-A1 SUBSTITUTED TRIAZOLINONES BAYER AG (DE) 1994-03-16 EP claimed
EP-0436311-B1 Improved catalytic process for the manufacture of copper phthalocyanine ACNA CHIMICA ORGANICA (IT) 1994-03-02 EP claimed
US-5276008-A Herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US claimed
WO-1992020663-A1 SUBSTITUTED TRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-26 WO claimed
EP-0502307-A2 Substituted 4,5-diamino-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1992-09-09 EP claimed
US-5138047-A Reacting phthaic anhydride, urea and copper or compound in hydrophobic liquid dispersant and promoter of amide, imide, urea, thiourea or guanidines ACNA CHIMICA ORGANICA S.P.A. (IT) 1992-08-11 US claimed
EP-0436311-A1 Improved catalytic process for the manufacture of copper phthalocyanine ACNA CHIMICA ORGANICA S.P.A. (IT) 1991-07-10 EP claimed
JP-59089361-A None JP disclosed
US-12620622-B2 Compound including sulfur-containing heterocyclic cation and bis(oxolato)borate anion, electrolytic solution and electrochemical device including the same DAIKIN INDUSTRIES, LTD. (JP) 2026-05-05 US disclosed
US-4041053-A DYES OR INTERMEDIATES THEREFOR BAYER AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed
US-4001306-A INHIBITION OF PLATELET AGGREGATION; NASAL PATENCY, LABOR INDUCEMENT, CONTROLLING BLOOD PRESSURE THE UPJOHN COMPANY (US) 1977-01-04 US disclosed
US-4000167-A DYEING POLYESTER FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 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-12620622-B2 Compound including sulfur-containing heterocyclic cation and bis(oxolato)borate anion, electrolytic solution and electrochemical device including the same ASH2L, OLA1, ODC1 TAAR1 2275/4885KCNN4 68/4885MAPK1 405/4885

“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.