SCHEMBL7052871

SCHEMBL7052871

O=C1c2ccccc2CCc2ccc(Br)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
CES1 P23141 2/20 0.61
PTPRC P08575 1/20 0.53
MAOA P21397 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
PARP1 P09874 1/20 0.50
PARP10 Q53GL7 1/20 0.50
METAP1 P53582 1/20 0.47
MAOB P27338 2/20 0.47
MAPK14 Q16539 3/20 0.46
AKR1B1 P15121 1/20 0.45
S100A4 P26447 1/20 0.45
MIF P14174 2/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL358939 0.90 TDP1 (0.81) TDP1L3MBTL1CES1PTPRCMAOA
SCHEMBL394145 0.89 TDP1 (0.80) TDP1L3MBTL1CES1PTPRCMAOA
SCHEMBL1306661 0.89 TDP1 (0.80) TDP1L3MBTL1CES1PTPRCMAOA
SCHEMBL22797539 0.87 TDP1 (0.77) TDP1L3MBTL1CES1PTPRCMAOA
SCHEMBL11140043 0.86 TDP1 (0.75) TDP1L3MBTL1CES1PTPRCMAOA
SCHEMBL7054532 0.82 TDP1 (0.69) TDP1L3MBTL1CES1PTPRCMAOA
SCHEMBL29408351 0.82 CES1 (0.90) TDP1L3MBTL1CES1MAOAMAPK1
SCHEMBL44496 0.82 CES1 (0.90) TDP1L3MBTL1CES1MAOAMAPK1
SCHEMBL29437756 0.82 CES1 (0.90) TDP1L3MBTL1CES1MAOAMAPK1
SCHEMBL11089109 0.81 TDP1 (0.69) TDP1L3MBTL1CES1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042268-A1 DIBENZOSUBERONE DERIVATIVES AND PROCEDURES FOR THEIR PREPARATION Belupo - Lijekovi I Kozmetika D.O.O. (HR) 2000-10-11 EP claimed
WO-1999028284-A1 DIBENZOSUBERONE DERIVATIVES AND PROCEDURES FOR THEIR PREPARATION BELUPO - LIJEKOVI I KOZMETIKA D.O.O. (HR) 1999-06-10 WO claimed
WO-2020248943-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 WO disclosed
US-10476006-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-11-12 US disclosed
EP-3281936-B1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SHANGHAI NICHEM FINE CHEMICAL CO LTD (CN) 2019-10-09 EP disclosed
US-10431751-B2 Compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-10-01 US disclosed
US-10424744-B2 Compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-09-24 US disclosed
US-20180298279-A1 SPIRALLY CONFIGURED CIS-STILBENE/FLUORENE HYBRID MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME CLIPHOR TECHNOLOGY CO., LTD. (TW) 2018-10-18 US disclosed
US-20180159045-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180159044-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
EP-0214779-A1 Tricyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-03-18 EP disclosed
US-4616023-A CARDIOVASCULAR DISORDERS; CALCIUM BLOCKING AGENTS MERCK & CO., INC. (US) 1986-10-07 US disclosed
US-4160031-A Antihistaminic and appetite stimulating 10,11-dihydro-3-carboxycyproheptadine MERCK & CO., INC. (US) 1979-07-03 US disclosed
US-4048223-A 3-Dimethylsulfamoyl-5-[amino(alkyl or alkylidene)]-5H-dibenzo [a,d]cycloheptenes MERCK & CO., INC. (US) 1977-09-13 US disclosed
US-4022902-A APPETITE STIMULANTS AND ANTIHISTAMINES MERCK & CO., INC. (US) 1977-05-10 US disclosed
US-4003915-A ANTICONVULSANTS, PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3981917-A Chemical compounds MERCK & CO., INC. (US) 1976-09-21 US disclosed
US-3978121-A 5H Dibenzo[a,d]cycloheptene derivatives MERCK & CO., INC. (US) 1976-08-31 US disclosed
US-3954865-A ANTI-PARKINSON'S DISEASE, PLASTICIZERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-04 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 (5 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-10424744-B2 Compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 TDP1 3186/4885L3MBTL1 672/4885CES1 3577/4885
US-10431751-B2 Compound and organic electronic device comprising the same CHRM1, CHRM2, ESR1 TDP1 3186/4885L3MBTL1 672/4885CES1 3577/4885
US-10476006-B2 Compound and organic electronic device using the same ESR1, AOC2, PIEZO1 TDP1 2975/4885L3MBTL1 1194/4885CES1 940/4885
US-20180298279-A1 SPIRALLY CONFIGURED CIS-STILBENE/FLUORENE HYBRID MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME TERT, HCN1, HCN2 TDP1 3031/4885L3MBTL1 1882/4885CES1 3873/4885
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SOD1, SCO2, RCOR3 TDP1 4743/4885L3MBTL1 3581/4885CES1 1819/4885

“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.