SCHEMBL48782

SCHEMBL48782

BrC(Br)(Br)Br.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.80
CYP3A4 P08684 1/20 0.80
ESR1 P03372 4/20 0.57
ESR2 Q92731 4/20 0.57
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 1/20 0.34
DRD1 P21728 2/20 0.33
TSHR P16473 5/20 0.32
BBOX1 O75936 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
KCNN4 O15554 1/20 0.32
TRPA1 O75762 1/20 0.32
MAPK1 P28482 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL196810 0.90 TDP1 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL11677444 0.90 TDP1 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL6388599 0.90 TDP1 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL11678746 0.90 TDP1 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL101 0.89 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL2085135 0.89 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
Benzene SCHEMBL6890099 0.89 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL5028587 0.89 TDP1 (1.00) TDP1CYP3A4ESR1ESR2KDM4E
Dibromodifluoromethane SCHEMBL15949801 0.88 TDP1 (0.71) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL11728684 0.88 TDP1 (0.71) TDP1CYP3A4ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278021-B Preparation method of 1, 7-diazaspiro [3.5] nonane-7-tert-butyl formate and oxalate thereof 天津全和诚科技有限责任公司 2022-09-23 CN claimed
CN-113278021-A Preparation method of 1, 7-diazaspiro [3.5] nonane-7-tert-butyl formate and oxalate thereof 天津全和诚科技有限责任公司 2021-08-20 CN claimed
CN-112694434-A New lefenacin intermediate, active electrophilic building block thereof and new preparation method of lefenacin 浙江和泽医药科技股份有限公司 2021-04-23 CN claimed
CN-106467521-A Two kinds of preparation methoies of one class bisbenzimidazole indole derivativeses 陈志龙 2017-03-01 CN claimed
CN-105111121-A Selenium-containing alkyl tertiary amine compound and preparation method thereof UNIV JIANGNAN 2015-12-02 CN claimed
CN-101863792-B Amide oligomer and polyamide paste rheological aid prepared by swelling same CAS GUANGZHOU CHEMISTRY CO LTD 2013-07-03 CN claimed
CN-101921229-B Synthesis method of stepholidine or derivative optical isomer thereof and intermediate thereof SHANGHAI INST MATERIA MEDICA 2012-08-08 CN claimed
CN-101921229-A Synthesis method of stepholidine or derivative optical isomer thereof and intermediate thereof SHANGHAI INST MATERIA MEDICA 2010-12-22 CN claimed
CN-101863792-A Amide oligomer and polyamide paste rheological aid prepared by swelling same GUANGZHOU CHEMISTRY CO LTD CAS 2010-10-20 CN claimed
CN-1555351-A Process for preparing unsaturated aliphatic hydroxy acids and esters thereof, use in pharmaceutical and/or cosmetic compositions 皮埃尔・波捷 2004-12-15 CN claimed
EP-0137717-A2 Fungicidal triazole and imidazole compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-17 EP claimed
US-12227482-B2 Compounds and compositions for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-02-18 US disclosed
CN-116606239-B Photo-induced CBr4Preparation method for constructing 3-bromo-spiro [4,5] triene ketone compound 三峡大学 2024-10-18 CN disclosed
EP-4339192-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER The Regents of the University of California (US) 2024-03-20 EP disclosed
WO-2024022998-A1 PROCESS FOR PREPARING DAPRODUSTAT AND COCRYSTALS THEREOF INKE, S.A. (ES) 2024-02-01 WO disclosed
EP-0109225-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1984-05-23 EP disclosed
EP-0086611-A1 9-Substituted carbacyclin analogues THE UPJOHN COMPANY (US) 1983-08-24 EP disclosed
EP-0074599-A1 5,6-cis-Carbapenem derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP disclosed
US-4221717-A Total synthesis of the utero-evacuant substance D,L-zoapatanol ORTHO PHARMACEUTICAL CORPORATION (US) 1980-09-09 US disclosed
US-4182717-A Total synthesis of the utero-evacuant substance d,l-zoapatanol ORTHO PHARMACEUTICAL CORP. (US) 1980-01-08 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-12227482-B2 Compounds and compositions for the treatment of cancer TP53, HCCS, CFTR TDP1 2795/4885CYP3A4 2168/4885ESR1 2533/4885

“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.