SCHEMBL3176347

SCHEMBL3176347

O=P(O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL20261803 0.89 TP53 (0.41) TSHRCYP2C19
SCHEMBL9439461 0.87
SCHEMBL20261806 0.85 LMNA (0.35) CYP2C19ALDH1A1
Phosphoric Acid SCHEMBL30132712 0.85 ALDH1A1 (0.43) ALDH1A1
Triclofos SCHEMBL125854 0.83 FBP1 (0.38) KDM4ECYP2C19KMT2A
Triclofos SCHEMBL122124 0.81 FBP1 (0.37) KDM4ECYP2C19KMT2A
SCHEMBL4995915 0.81 KDM4E (0.31) KDM4ECYP2C19KMT2A
SCHEMBL27735699 0.80
SCHEMBL20543194 0.79
Triclofos SCHEMBL8970300 0.77 KDM4E (0.44) KDM4ECYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146548-B Preparation and application of aryloxy phosphate monosodium salt 中山大学 2020-12-29 CN disclosed
CN-111777638-A Quinoline compound, preparation method, pharmaceutical composition and application thereof 瀚海新拓(杭州)生物医药有限公司 2020-10-16 CN disclosed
US-7655646-B2 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals THALLION PHARMACEUTICALS, INC. (CA) 2010-02-02 US disclosed
US-7544672-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2009-06-09 US disclosed
US-20080161291-A1 DIBENZODIAZEPINONE ANALOGUES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS THALLION PHARMACEUTICALS INC. 2008-07-03 US disclosed
EP-1869027-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2007-12-26 EP disclosed
US-7304054-B2 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals THALLION PHARMACEUTICALS INC. (CA) 2007-12-04 US disclosed
US-7235666-B2 Sulfonation of 3-(hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione followed by phosphating in the presence of trisubstituted aliphatic amine base and a polar aprotic solvent; anticonvulsants, antiepileptic and antiarrhythmia agent CILAG LTD. (CH) 2007-06-26 US disclosed
US-7153901-B2 Low viscosity flame retardants are the reaction product of a mixed ester of tetrabromophthalic acid with diethylene glycol and propylene glycol with an acid anhydride, organic phosphate, or organic chlorophosphate; minimizing visible scorching of the flexible polyurethane foam during its production ALBEMARLE CORPORATION (US) 2006-12-26 US disclosed
WO-2006105372-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-05 WO disclosed
US-20060079512-A1 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals ECOPIA BIOSCIENCES, INC. 2006-04-13 US disclosed
US-20060079509-A1 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals ECOPIA BIOSCIENCES, INC. 2006-04-13 US disclosed
US-20050272706-A1 Process for the preparation of sodium fosphenytoin CILAG, LTD. 2005-12-08 US disclosed
WO-2005052018-A2 FLAME RETARDANT, ADDITIVE COMPOSITIONS, AND FLAME RETARDANT POLYURETHANES ALBEMARLE CORPORATION (US) 2005-06-09 WO disclosed
US-20050113495-A1 Flame retardant, additive compositions, and flame retardant polyurethanes ALBEMARLE CORPORATION 2005-05-26 US disclosed
US-4880922-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1989-11-14 US disclosed
US-4746736-A THIENAMYCINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1988-05-24 US disclosed
US-4732977-A BACTERICIDES BRISTOL MYERS COMPANY (US) 1988-03-22 US disclosed
US-4665169-A THIENAMYCIN BACTERICIDES BRISTOL-MYERS COMPANY (US) 1987-05-12 US disclosed
US-4644061-A Carbapenem antibiotics BRISTOL-MYERS COMPANY (US) 1987-02-17 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-20050272706-A1 Process for the preparation of sodium fosphenytoin FOS, DUSP5, DCPS TSHR 3700/4885KDM4E 390/4885CYP2C19 148/4885
US-20060079509-A1 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals UGT2B17, CYP1B1, CYP2C19 TSHR 1601/4885KDM4E 2408/4885CYP2C19 3/4885
US-20060079512-A1 Dibenzodiazepinone analogues, processes for their production and their use as pharmaceuticals UGT2B17, CYP1B1, CYP2C19 TSHR 1601/4885KDM4E 2408/4885CYP2C19 3/4885
US-20080161291-A1 DIBENZODIAZEPINONE ANALOGUES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICALS UGT2B17, CYP1B1, CYP2C19 TSHR 1601/4885KDM4E 2408/4885CYP2C19 3/4885

“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.