SCHEMBL597345

SCHEMBL597345

CCCC(C)(CC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
TAAR1 Q96RJ0 1/20 0.41
KCNN4 O15554 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37
RIPK1 Q13546 2/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8612395 1.00 CYP2C19 (0.47) CYP2C19HIF1AESR1ESR2TAAR1
SCHEMBL26757337 0.91 CYP2C19 (0.50) CYP2C19HIF1AESR1ESR2TAAR1
SCHEMBL10455028 0.87 CYP2C19 (0.44) CYP2C19HIF1AESR1ESR2TAAR1
SCHEMBL10808021 0.85 CYP2C19 (0.54) CYP2C19HIF1AESR1ESR2TAAR1
SCHEMBL599044 0.85 CYP2C19 (0.54) CYP2C19HIF1AESR1ESR2TAAR1
SCHEMBL3085827 0.84 CYP2C19 (0.41) CYP2C19HIF1ATAAR1ALDH1A1MAPT
SCHEMBL7041511 0.83 CYP2C19 (0.48) CYP2C19HIF1AESR1ESR2TAAR1
SCHEMBL11801078 0.83 TAAR1 (0.54) CYP2C19HIF1AESR1ESR2TAAR1
SCHEMBL28670436 0.83 CYP2C19 (0.44) CYP2C19HIF1AESR1ESR2TAAR1
SCHEMBL7041512 0.83 CYP2C19 (0.48) CYP2C19HIF1AESR1ESR2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003110-B Aryl beta-aminoketone compound and preparation method thereof 南京工业大学 2022-09-06 CN disclosed
EP-3060539-A1 USE OF ALKANE SULPHONIC ACID FOR PREPARING PHENOLIC ALCOHOL Arkema France (FR) 2016-08-31 EP disclosed
WO-2015059401-A1 USE OF ALKANE SULPHONIC ACID FOR PREPARING PHENOLIC ALCOHOL ARKEMA FRANCE (FR) 2015-04-30 WO 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
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
EP-1361622-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERIES UBE INDUSTRIES (JP) 2008-06-04 EP disclosed
US-5827855-A ANTICHOLESTEROL AGENTS TREATING CARDIOVASCULAR DISORDERS; ENZYME INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-10-27 US disclosed
CN-1039642-C Derivative of hexahydronaphthalene ester, their preparation and their therapeutic uses SANKYO CO (JP) 1998-09-02 CN disclosed
EP-0605230-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1997-08-27 EP disclosed
US-5451688-A Inhibit biosynthesis of cholesterol SANKYO COMPANY, LIMITED (JP) 1995-09-19 US disclosed
CN-1094707-A Hexahydro-naphthalene ester derivative, their preparation and their application aspect treatment SANKYO CO (JP) 1994-11-09 CN disclosed
EP-0605230-A1 Hexanhydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-07-06 EP disclosed
EP-0451714-B1 Process for the acylation of alkyl aromatics BASF AG (DE) 1994-01-05 EP disclosed
US-5136089-A ACYLATION OF ALKYL AROMATIC HYDROCARBONS BASF AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
EP-0451714-A1 Process for the acylation of alkyl aromatics BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
EP-0233450-A2 Linear salicylic acid copolymers and their metal salts, production process thereof, color-developing agents comprising metal-resins of the copolymers, and color-developing sheets employing the agents MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-08-26 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 (2 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 4424/4885ESR1 3804/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B CYP2C19 1391/4885HIF1A 4406/4885ESR1 3897/4885

“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.