SCHEMBL3704832

SCHEMBL3704832

CCCCC(CC)Cc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.44
BDKRB2 P30411 3/20 0.42
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
CSNK1E P49674 1/20 0.38
CA2 P00918 1/20 0.37
GFER P55789 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
Hydrochloric Acid SCHEMBL9438687 0.98 ALDH1A1 (0.44) ALDH1A1TDP1MAPTBDKRB2CYP3A4
SCHEMBL19503498 0.93 CSNK1E (0.46) ALDH1A1TDP1MAPTBDKRB2CSNK1E
SCHEMBL27513351 0.93 CSNK1E (0.46) ALDH1A1TDP1MAPTBDKRB2CSNK1E
SCHEMBL25159835 0.92 MAPT (0.42) ALDH1A1TDP1MAPTBDKRB2CYP3A4
SCHEMBL153634 0.90 BDKRB2 (0.48) ALDH1A1TDP1BDKRB2CYP3A4TSHR
SCHEMBL24185036 0.87 CSNK1E (0.47) ALDH1A1TDP1MAPTBDKRB2CYP3A4
SCHEMBL8102162 0.87 CYP3A4 (0.50) ALDH1A1TDP1MAPTBDKRB2CYP3A4
SCHEMBL27979882 0.86 MAOB (0.48) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL10074654 0.85 CSNK1E (0.49) ALDH1A1TDP1MAPTBDKRB2CYP3A4
SCHEMBL3703426 0.85 CSNK1E (0.49) ALDH1A1TDP1MAPTBDKRB2CYP3A4

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105339473-B Multifunctional lubricant composition 株式会社ADEKA 2018-01-02 CN disclosed
CN-105745313-A Lubricant agent composition and lubricant oil composition containing same 株式会社ADEKA 2016-07-06 CN disclosed
CN-105339473-A Polyfunctional lubricant composition ADEKA CORP 2016-02-17 CN disclosed
CN-104812731-A Method for producing formic acid BASF SE 2015-07-29 CN disclosed
CN-104024203-A Process for producing formic acid BASF SE 2014-09-03 CN disclosed
CN-103917551-A Process for the preparation of formic acid by reaction of carbon dioxide with hydrogen BASF SE 2014-07-09 CN disclosed
CN-102596878-B Process for preparing formic acid by reaction of carbon dioxide with hydrogen BASF SE 2014-07-09 CN disclosed
CN-102076780-B Acid dyes CLARIANT INT LTD 2013-08-21 CN disclosed
CN-103080061-A Method for producing formic acid by reacting carbon dioxide with hydrogen BASF SE 2013-05-01 CN disclosed
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 US disclosed
CN-102596878-A Process for preparing formic acid by reaction of carbon dioxide with hydrogen BASF SE 2012-07-18 CN disclosed
EP-2452942-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM Sumitomo Chemical Company, Limited (JP) 2012-05-16 EP disclosed
CN-102105538-A Acid dyes CLARIANT FINANCE BVI LTD 2011-06-22 CN disclosed
CN-102076780-A Acid dyes CLARIANT INT LTD 2011-05-25 CN disclosed
CN-100496176-C Compound having multiple branched structure, organic electroluminescent element, display device, lighting device, and method for producing compound having multiple branched structure KONICA MINOLTA HOLDINGS INC (JP) 2009-06-03 CN disclosed
CN-1857035-A Compound having multiple branched structure, organic electroluminescent element, display device, lighting device, and method for producing compound having multiple branched structure KONICA MINOLTA HOLDINGS INC (JP) 2006-11-01 CN disclosed
EP-0008330-B1 PROCESS FOR THE SEPARATION OF HYDROGEN CHLORIDE AND HYDROGEN BROMINE CHEMISCHE WERKE HÜLS AG (DE) 1981-05-20 EP disclosed
US-4254092-A Method for separating hydrogen chloride and hydrogen bromide CHEMISCHE WERKE HULS AG (DE) 1981-03-03 US disclosed
EP-0008330-A1 Process for the separation of hydrogen chloride and hydrogen bromine CHEMISCHE WERKE HÜLS AG (DE) 1980-03-05 EP disclosed
US-4115530-A EXTRACTION WITH AMINES CHEMISCHE WERKE HULS AG (DE) 1978-09-19 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-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM EBPL, SAAL1, APOL1 ALDH1A1 2070/4885TDP1 4414/4885MAPT 4013/4885

“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.