SCHEMBL5601152

SCHEMBL5601152

c1ccc(CCn2cccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
SLC6A3 Q01959 1/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
MGLL Q99685 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL668214 0.86 SIGMAR1 (0.57) POLBSIGMAR1GSK3AGSK3B
SCHEMBL9203311 0.82 GSK3A (0.52) KMT2ASLC6A3POLBATMSIGMAR1
SCHEMBL13740621 0.82 HMOX1 (0.69) SLC6A3HRH3SMN1; SMN2GAAMAPT
SCHEMBL27825165 0.79 TSHR (0.57) KMT2AATMSIGMAR1HPGDTSHR
SCHEMBL27825167 0.79 ESR1 (0.54) KMT2ASLC6A3SIGMAR1TSHRHSD17B10
SCHEMBL27843933 0.79 TAAR1 (0.46) KMT2ASIGMAR1TSHRHSD17B10HTR2A
SCHEMBL27843932 0.79 CYP19A1 (0.47) GSK3BALDH1A1TAAR1MAPT
SCHEMBL4185102 0.76 HTT (0.47) KMT2ASLC6A3POLBATMSIGMAR1
SCHEMBL409741 0.74 HMOX1 (0.72) KMT2APOLBMAPT
SCHEMBL10555599 0.74 MAOB (0.57) SIGMAR1CASP1SMN1; SMN2HTR1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-11063222-B2 Organic semiconducting material and use thereof in organic devices HELIATEK GMBH (DE) 2021-07-13 US disclosed
CN-110003188-A Substituted azole formate ester derivative and application thereof 成都安诺晨创医药科技有限公司 2019-07-12 CN disclosed
US-20190006599-A1 ORGANIC SEMICONDUCTING MATERIAL AND USE THEREOF IN ORGANIC DEVICES HELIATEK GMBH (DE) 2019-01-03 US disclosed
CN-108586723-A Polycondensation resin and optical film formed therefrom 三菱化学株式会社 2018-09-28 CN disclosed
CN-108137608-A Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2018-06-08 CN disclosed
CN-106062035-B Polycondensation resin and optical film formed therefrom 三菱化学株式会社 2018-05-29 CN disclosed
CN-106986748-A Oligofluorenediols, oligofluorenediaryl esters, and methods for producing these 三菱化学株式会社 2017-07-28 CN disclosed
EP-3188270-A1 ORGANIC SEMI-CONDUCTING MATERIAL AND ITS USE IN ORGANIC COMPONENTS Heliatek GmbH (DE) 2017-07-05 EP disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
US-5053073-A THIOPHENE DERIVATIVES USEFUL AS FUNGICIDAL, INSECTICIDAL OR PLANT GROWTH REGULATING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0243014-B1 FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 EP disclosed
US-4906758-A Preparation of pyrroles from dialkoxytetrahydrofurans BASF AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
US-4863503-A THIOPHENE DERIVATIVES, INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-05 US disclosed
EP-0303206-A2 Process for the preparation of pyrroles BASF Aktiengesellschaft (DE) 1989-02-15 EP disclosed
CN-87103543-A Fungicidal agents 1988-02-24 CN disclosed
EP-0243014-A1 Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-28 EP disclosed
EP-0125415-B1 PROCESS FOR THE PRODUCTION OF PYRROLES BASF Aktiengesellschaft (DE) 1986-11-26 EP disclosed
US-4560769-A CATALYTIC CYCLIZATION OF AMMONIA OR AMINE WITH BUT-2-ENE-1,4-DIOL BASF AKTIENGESELLSCHAFT (DE) 1985-12-24 US disclosed
EP-0125415-A1 Process for the production of pyrroles BASF Aktiengesellschaft (DE) 1984-11-21 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-20190006599-A1 ORGANIC SEMICONDUCTING MATERIAL AND USE THEREOF IN ORGANIC DEVICES CCNT1, CCNE2, EPCAM KMT2A 1593/4885SLC6A3 461/4885POLB 1868/4885
US-11063222-B2 Organic semiconducting material and use thereof in organic devices CCNT1, CCNE2, EPCAM KMT2A 1593/4885SLC6A3 461/4885POLB 1868/4885

“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.