SCHEMBL4258684

SCHEMBL4258684

O=P(c1ccc(Br)cc1)(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALOX15 P16050 2/20 0.38
CA12 O43570 4/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CA2 P00918 4/20 0.37
OGG1 O15527 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 2/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
PLCG1 P19174 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
SCHEMBL14339307 0.94 ALDH1A1 (0.50) CYP2A6ALDH1A1MAPK1CES2CES1
SCHEMBL6568180 0.89 ALDH1A1 (0.52) CYP2A6ALDH1A1MAPK1CA2LMNA
SCHEMBL2678331 0.89 ALDH1A1 (0.52) CYP2A6ALDH1A1MAPK1CA2LMNA
SCHEMBL18902368 0.87 ALDH1A1 (0.62) CYP2A6ALDH1A1LMNATDP1
SCHEMBL11868638 0.87 ALDH1A1 (0.50) CYP2A6ALDH1A1MAPK1CA2LMNA
SCHEMBL21309077 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1CA12CA2CA9
SCHEMBL23279569 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1LMNATDP1
SCHEMBL14422420 0.78 CYP1B1 (0.47) ALDH1A1MAPK1LMNA
SCHEMBL3361462 0.77 CA2 (0.55) CYP2A6CES2CES1ALOX15CA12
SCHEMBL11916201 0.77 CYP2A6 (0.44) CYP2A6ALDH1A1MAPK1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968094-A Hole transport composition, hole transport layer, preparation method of hole transport layer and perovskite battery 天合光能股份有限公司 2025-05-09 CN disclosed
CN-116462709-A Phosphate group-containing compound, preparation method thereof and application thereof in perovskite light-emitting device 中国科学院长春应用化学研究所 2023-07-21 CN disclosed
CN-114539301-A Dendritic fused ring compound containing boron atom and oxygen atom, preparation method and application thereof, and organic electroluminescent device 中国科学院长春应用化学研究所 2022-05-27 CN disclosed
EP-1644459-B1 MIXTURES OF ORGANIC EMISSIVE SEMICONDUCTORS AND MATRIX MATERIALS, AND ELECTRONIC COMPONENTS COMPRISING SAID MIXTURES MERCK PATENT GMBH (DE) 2017-08-23 EP disclosed
US-9406910-B2 Organic electroluminescent element and manufacturing method thereof, and phosphorus-containing organic compound and manufacturing method thereof DAIDEN CO., LTD (JP) 2016-08-02 US disclosed
US-9406910-B2 Organic electroluminescent element and manufacturing method thereof, and phosphorus-containing organic compound and manufacturing method thereof DAIDEN CO., LTD (JP) 2016-08-02 US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 US disclosed
US-9206351-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-12-08 US disclosed
US-20130295706-A1 Organic Electroluminescent Element and Manufacturing Method Thereof, and Phosphorus-Containing Organic Compound and Manufacturing Method Thereof KYUSHU ELECTRIC POWER CO., INC. (JP) 2013-11-07 US disclosed
WO-2007137725-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2007-12-06 WO disclosed
US-20070185303-A1 Compounds for organic electronic devices MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2007-08-09 US disclosed
EP-1250341-B1 A METHOD OF GENERATING A FUNCTIONALISED ARYLPHOSPHINE UNIV LIVERPOOL (GB) 2004-03-31 EP disclosed
US-20040059159-A2 A Method of Generating A Functionalised Arylphosphine THE UNIVERSITY OF LIVERPOOL (GB) 2004-03-25 US disclosed
US-20030181767-A1 Method of generating a functionalised arylphosphine XIAO JIANLIANG (GB) 2003-09-25 US disclosed
EP-1250341-A1 A METHOD OF GENERATING A FUNCTIONALISED ARYLPHOSPHINE THE UNIVERSITY OF LIVERPOOL (GB) 2002-10-23 EP disclosed
WO-2001055156-A1 A METHOD OF GENERATING A FUNCTIONALISED ARYLPHOSPHINE THE UNIVERSITY OF LIVERPOOL (GB) 2001-08-02 WO disclosed
EP-0011369-B1 PROCESS FOR PREPARING 3-EXOMETHYLENECEPHAM SULFOXIDES ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
EP-0011369-A1 Process for preparing 3-exomethylenecepham sulfoxides ELI LILLY AND COMPANY (US) 1980-05-28 EP disclosed
US-4190724-A Process for 3-exomethylenecepham sulfoxides ELI LILLY AND COMPANY (US) 1980-02-26 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 (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-20030181767-A1 Method of generating a functionalised arylphosphine PHOSPHO1, PPIP5K2, PNPO CYP2A6 688/4885ALDH1A1 2565/4885MAPK1 924/4885
US-20040059159-A2 A Method of Generating A Functionalised Arylphosphine PHOSPHO1, PFAS, PPIP5K2 CYP2A6 914/4885ALDH1A1 2971/4885MAPK1 1233/4885

“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.