SCHEMBL2874346

SCHEMBL2874346

CC(C)(C)c1cccc(C2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.49
HTR2C P28335 4/20 0.47
HDAC4 P56524 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
DRD2 P14416 1/20 0.43
CYP11B2 P19099 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
PDK2 Q15119 1/20 0.37

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
Tert-Butylbenzene SCHEMBL4814841 0.83 SLC18A3 (0.49) KMODRD2CYP11B2CYP1A2CYP2D6
SCHEMBL4402770 0.82 SLC18A3 (0.58) HTR2CDRD2CYP1A2CYP2D6CYP2C19
SCHEMBL4402405 0.82 HTR2C (0.71) HTR2CDRD2
SCHEMBL4403469 0.82 HTR2C (0.45) HTR2CDRD2
SCHEMBL5730254 0.82 HTR2C (0.45) HTR2CHDAC4HDAC2HDAC8DRD2
SCHEMBL5667650 0.82 KMO (0.64) KMOHTR2CHDAC4HDAC2HDAC8
SCHEMBL5730621 0.82 MGLL (0.43) HTR2CHDAC4HDAC2HDAC8DRD2
SCHEMBL669730 0.82 KMO (0.64) KMOHTR2CHDAC4HDAC2HDAC8
SCHEMBL31087548 0.81 HTR2C (0.70) KMOHTR2CHDAC4HDAC2HDAC8
SCHEMBL5668848 0.81 HTR2C (0.70) KMOHTR2CHDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US claimed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 US claimed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP claimed
EP-1729755-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 EP claimed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US claimed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO claimed
US-6503662-B1 Tert-butylbenzene derivative prevents oxidation and decomposition of solvent at the time of charging which causes decreased battery characteristics UBE INDUSTRIES, LTD. (JP) 2003-01-07 US claimed
CN-1290974-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2001-04-11 CN claimed
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-01-16 US disclosed
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-07-06 US disclosed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 WO disclosed
CN-1645663-A Non-aqeous electrolytic sotution and lithium accumulator using said non-aqeous electrolytic solution UBE INDUSTRIES (JP) 2005-07-27 CN disclosed
CN-1190863-C Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2005-02-23 CN disclosed
CN-1290974-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2001-04-11 CN 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 (6 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-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP KMO 1403/4885HTR2C 1265/4885HDAC4 2150/4885
US-20230212207-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OTC, OCIAD1 KMO 2290/4885HTR2C 2217/4885HDAC4 3260/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE KMO 2985/4885HTR2C 4041/4885HDAC4 1318/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP KMO 1403/4885HTR2C 1265/4885HDAC4 2150/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP KMO 1403/4885HTR2C 1265/4885HDAC4 2150/4885
US-11873311-B2 Heterocyclic compound, organic electroluminescent device, and electronic device ODC1, LEF1, PIEZO1 KMO 1283/4885HTR2C 2075/4885HDAC4 2408/4885

“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.