SCHEMBL599044

SCHEMBL599044

CCC(C)(CC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
TAAR1 Q96RJ0 1/20 0.48
KCNN4 O15554 4/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
ESR1 P03372 3/20 0.43
ESR2 Q92731 3/20 0.43
ALOX15 P16050 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
TP53 P04637 1/20 0.39

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
SCHEMBL10808021 1.00 CYP2C19 (0.54) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL18660794 0.87 CYP2C19 (0.44) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL8612395 0.85 CYP2C19 (0.47) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL7040834 0.85 CYP2C19 (0.52) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL17710390 0.85 CYP2C19 (0.47) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL7040831 0.85 CYP2C19 (0.52) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL11817408 0.85 CYP2C19 (0.47) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL597345 0.85 CYP2C19 (0.47) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL27540234 0.85 CYP2C19 (0.47) CYP2C19HIF1ATAAR1KCNN4MAPK1
SCHEMBL28425133 0.84 CYP2C19 (0.45) CYP2C19HIF1ATAAR1KCNN4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013848-A REACTING SAID HEAVY POLYALKYLATED AROMATIC COMPOUND MIXTURE WITH BENZENE TO PRODUCE ETHYL BENZENE AND A POLYALKYLATED AROMATIC COMPOUND MIXTURE CONTAINING TETRAETHYL BENZENE AND LIGHTER POLYALKYLATED AROMATIC COMPOUND; TRANSALKYLATION CATALYTIC DISTILLATION TECHNOLOGIES 2000-01-11 US claimed
WO-2021043653-A1 POLYMER COMPOSITION AND ARTICLE MADE FROM THE SAME COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2021-03-11 WO disclosed
EP-2641738-B1 Planographic printing plate precursor and method for producing a planographic printing plate FUJIFILM CORP (JP) 2016-01-20 EP disclosed
US-20130052564-A1 POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTRODE ASSEMBLY, AND SOLID POLYMER FUEL CELL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-28 US disclosed
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
US-RE42015-E1 N4-acylcytosine-1,3-dioxolane nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2010-12-28 US disclosed
US-7615316-B2 Nonaqueous electrolytic solution and lithium secondary batteries UBE INDUSTRIES, LTD. (JP) 2009-11-10 US disclosed
US-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2009-07-09 US disclosed
US-20080275079-A1 3-Endo)-3-[2,2-Bis-(3-hydroxy-phenyl)-ethenyl]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide; chronic obstructive lung disease, chronic bronchitis, asthma, chronic respiratory obstruction, pulmonary fibrosis, pulmonary emphysema, allergic rhinitis GLAXO GROUP LIMITED 2008-11-06 US disclosed
US-3983066-A Solid, rapid setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1976-09-28 US disclosed
US-3983063-A Solid, rapid-setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1976-09-28 US disclosed
US-3983064-A Solid, rapid-setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1976-09-28 US disclosed
US-3983065-A Solid, rapid-setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1976-09-28 US disclosed
US-3983069-A Solid, rapid-setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1976-09-28 US disclosed
US-3983068-A Solid, rapid-setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1976-09-28 US disclosed
US-3966662-A Solid, rapid-setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1976-06-29 US disclosed
US-3966664-A Solid, rapid-setting, rigid polyurethanes THE DOW CHEMICAL COMPANY (US) 1976-06-29 US disclosed
US-3965073-A Preparation of rapid setting non-elastomeric polyurethane compositions in the presence of ester-modified polyoxyalkylene compounds THE DOW CHEMICAL COMPANY (US) 1976-06-22 US disclosed
US-3956221-A Rapid setting non-elastomeric polyurethane compositions containing a non-hydroxyl containing ester-modified polyoxylkylene compound THE DOW CHEMICAL COMPANY (US) 1976-05-11 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 (3 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-20090176730-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, NT5C3B, PNP CYP2C19 1411/4885HIF1A 4424/4885TAAR1 3972/4885
US-20080275079-A1 3-Endo)-3-[2,2-Bis-(3-hydroxy-phenyl)-ethenyl]-8,8-dimethyl-8-azonia-bicyclo[3.2.1]octane bromide; chronic obstructive lung disease, chronic bronchitis, asthma, chronic respiratory obstruction, pulmonary fibrosis, pulmonary emphysema, allergic rhinitis CHRM3, EDNRB, BDKRB2 CYP2C19 1979/4885HIF1A 2217/4885TAAR1 520/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP2C19 1391/4885HIF1A 4406/4885TAAR1 3855/4885

“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.