SCHEMBL258733

SCHEMBL258733

Brc1cccc(P(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.57
CYP3A4 P08684 1/20 0.57
ALDH1A1 P00352 5/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 2/20 0.37
TDO2 P48775 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
Bromide SCHEMBL7090229 0.98 TDP1 (0.55) TDP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL28680799 0.93 ALDH1A1 (0.46) TDP1CYP3A4ALDH1A1MAPK1MAOB
SCHEMBL23182241 0.88 TDP1 (0.44) TDP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL20345792 0.84 TDP1 (0.39) TDP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL19678036 0.83 TDP1 (0.60) TDP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL1314228 0.82 TDP1 (0.75) TDP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL15698273 0.82 TDP1 (0.75) TDP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL19463911 0.81 ALDH1A1 (0.46) TDP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL15683049 0.79 CYP2A6 (0.56) TDP1CYP3A4ALDH1A1ESR1ESR2
SCHEMBL739399 0.77 TDP1 (0.67) TDP1CYP3A4ALDH1A1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024139695-A1 PURIFICATION PREPARATION METHOD FOR COMPOUNDS CONTAINING ARYL PHOSPHINE OXIDE GROUP 华南理工大学 2024-07-04 WO disclosed
WO-2024139696-A1 PREPARATION METHOD FOR HIGH-PURITY AROMATIC PHOSPHINE OXIDE COMPOUND 华南理工大学 2024-07-04 WO disclosed
EP-3281238-B1 SEMICONDUCTING MATERIAL COMPRISING A PHOSPHINE OXIDE MATRIX AND METAL SALT NOVALED GMBH (DE) 2024-04-24 EP disclosed
EP-3259786-B1 SEMICONDUCTING MATERIAL AND NAPHTOFURANE MATRIX COMPOUND FOR IT NOVALED GMBH (DE) 2023-08-30 EP disclosed
US-11309495-B2 Semiconducting material comprising a phosphine oxide matrix and metal salt NOVALED GMBH (DE) 2022-04-19 US disclosed
WO-2020211316-A1 ASYMMETRICALLY SUBSTITUTED SOLUBLE PYRIDINE DERIVATIVES AND PREPARATION THEREOF, N-DOPED ELECTRON TRANSPORT LAYER AND USE THEREOF 华南理工大学 2020-10-22 WO disclosed
EP-3230404-B1 AMBIPOLAR HOST MATERIALS AND THEIR USE CYNORA GMBH (DE) 2020-02-05 EP disclosed
CN-110016053-A The soluble pyridine derivatives of Asymmetrical substitute and preparation, n- doping electron transfer layer and application 华南理工大学 2019-07-16 CN disclosed
CN-105693773-B A kind of organic molecule electron transport material with high triplet energy level and preparation method thereof, application 华南理工大学 2018-05-15 CN disclosed
US-20180114914-A1 Semiconducting Material Comprising a Phosphine Oxide Matrix and Metal Salt NOVALED GMBH (DE) 2018-04-26 US disclosed
US-20080241589-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
EP-1756128-A4 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES VALORISATION RECH SOC EN COMMA (CA) 2008-06-25 EP disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 US disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 US disclosed
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES VALORISATION-RECHERECHE (CA) 2007-08-23 US disclosed
CN-101018795-A Phosphonium salts derivatives and their use as solubility controlling auxiliaries VALORISATION RECH SOC EN COMMA (CA) 2007-08-15 CN disclosed
EP-1756128-A1 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES Valorisation-Recherche, Société en Commandite (CA) 2007-02-28 EP disclosed
WO-2005097812-A1 PHOSPHONIUM SALTS DERIVATIVES AND THEIR USE AS SOLUBILITY CONTROLLING AUXILIARIES Valorisation-Recherche, Société en Commandite (CA) 2005-10-20 WO disclosed
WO-1993024600-A1 OXIDATION-RESISTANT CYCLOPHOSPHAZENE FLUID INCLUDING TRIARYLPHOSPHINE OR PHOSPHINE OXIDE THE DOW CHEMICAL COMPANY (US) 1993-12-09 WO disclosed
US-5194652-A High temperature lubricants, hydraulic fluids; jet aircraft, turbines, diesel engines THE DOW CHEMICAL COMPANY (US) 1993-03-16 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 (4 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-20080241589-A1 ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, AOC2, L1CAM TDP1 2687/4885CYP3A4 522/4885ALDH1A1 196/4885
US-20070197477-A1 PHOSPHONIUM SALTS DERIVATIVES PI4K2A, PIP4K2A, PI4K2B TDP1 2733/4885CYP3A4 1415/4885ALDH1A1 3806/4885
US-11309495-B2 Semiconducting material comprising a phosphine oxide matrix and metal salt C1S, C5, SLC26A3 TDP1 4824/4885CYP3A4 3993/4885ALDH1A1 2484/4885
US-20180114914-A1 Semiconducting Material Comprising a Phosphine Oxide Matrix and Metal Salt C1S, C5, SLC26A3 TDP1 4824/4885CYP3A4 3993/4885ALDH1A1 2484/4885

“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.