SCHEMBL2462689

SCHEMBL2462689

Brc1ccc(P(c2ccccc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
CYP3A4 P08684 1/20 0.67
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 2/20 0.50
CYP2A6 P11509 2/20 0.44
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
G6PD P11413 1/20 0.39
HTR2A P28223 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL739399 1.00 TDP1 (0.67) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL3757571 0.88 CYP2A6 (0.57) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL1301471 0.85 TDP1 (0.92) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL16094788 0.85 TDP1 (0.92) TDP1CYP3A4ESR1ESR2ALDH1A1
Bromide SCHEMBL11573188 0.82 TDP1 (0.86) TDP1CYP3A4ESR1ESR2ALDH1A1
Hydrochloric Acid SCHEMBL2018015 0.82 TDP1 (0.86) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL101 0.82 TDP1 (1.00) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL2085135 0.82 TDP1 (1.00) TDP1CYP3A4ESR1ESR2ALDH1A1
Benzene SCHEMBL6890099 0.82 TDP1 (1.00) TDP1CYP3A4ESR1ESR2ALDH1A1
SCHEMBL5028587 0.82 TDP1 (1.00) TDP1CYP3A4ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683065-B Phosphine ligand containing silicon-hydrogen group, preparation method and application thereof 华东师范大学 2026-05-19 CN disclosed
CN-117683065-A Phosphine ligand containing silicon-hydrogen group, preparation method and application thereof 华东师范大学 2024-03-12 CN disclosed
EP-2860782-B1 Semiconducting material comprising a phosphine oxide matrix and metal salt NOVALED GMBH (DE) 2019-04-17 EP disclosed
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed
US-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 US disclosed
EP-2366752-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND USE OF SAME MERCK PATENT GMBH (DE) 2016-07-20 EP disclosed
EP-2366752-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND USE OF SAME MERCK PATENT GMBH (DE) 2016-07-20 EP disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
EP-1675930-A1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GmbH (DE) 2006-07-05 EP disclosed
WO-2005040302-A1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2005-05-06 WO disclosed
US-4257973-A USING ORGANOPHOSPHORUS-PALLADIUM HALIDE COORDINATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-03-24 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-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP1B1 TDP1 2502/4885CYP3A4 8/4885ESR1 41/4885

“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.