SCHEMBL3888515

SCHEMBL3888515

Cc1ccccc1OP(OCl)Oc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 2/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SCN4A P35499 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8651327 0.86 TSHR (0.43) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL215848 0.86 TSHR (0.46) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27387712 0.86 TSHR (0.46) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL29405565 0.86 TSHR (0.46) TSHRSMN1; SMN2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL10779050 0.84 TSHR (0.45) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11864172 0.84 TSHR (0.45) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11818909 0.84 TSHR (0.45) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10706430 0.84 TSHR (0.45) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1376362 0.84 TSHR (0.45) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27476174 0.84 TSHR (0.45) TSHRSMN1; SMN2NPC1RAB9AMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477998-B1 ORGANOPHOSPHORUS COMPOUNDS, CATALYTIC SYSTEMS INCLUDING SAID COMPOUNDS, AND HYDROCYANATION METHOD USING SAID CATALYTIC SYSTEMS RHODIA OPERATIONS (FR) 2014-02-26 EP disclosed
US-8546589-B2 Organophosphorus compounds, catalytic systems comprising said compounds and method of hydrocyanation using said catalytic systems RHODIA OPERATIONS (FR) 2013-10-01 US disclosed
US-20130053580-A1 ORGANOPHOSPHORUS COMPOUNDS, CATALYTIC SYSTEMS COMPRISING SAID COMPOUNDS AND METHOD OF HYDROCYANATION USING SAID CATALYTIC SYSTEMS RHODIA OPERATIONS (FR) 2013-02-28 US disclosed
EP-2477998-A1 ORGANOPHOSPHORUS COMPOUNDS, CATALYTIC SYSTEMS INCLUDING SAID COMPOUNDS, AND HYDROCYANATION METHOD USING SAID CATALYTIC SYSTEMS Rhodia Opérations (FR) 2012-07-25 EP disclosed
WO-2011032835-A1 ORGANOPHOSPHORUS COMPOUNDS, CATALYTIC SYSTEMS INCLUDING SAID COMPOUNDS, AND HYDROCYANATION METHOD USING SAID CATALYTIC SYSTEMS RHODIA OPERATIONS (FR) 2011-03-24 WO disclosed
US-7521575-B2 Sterically hindered chelate phosphinite-phosphite ligand, catalyst, comprising at least one nickel(0) complex stabilized by said ligand and method for production of nitriles BASF AKTIENGESELLSCHAFT (DE) 2009-04-21 US disclosed
US-20070060766-A1 Sterically hindered chelate phosphinite-phosphite ligand, catalyst, comprising at least one nickel(0) complex stabilized by said ligand and method for production of nitriles BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
EP-1133356-B1 HYDROFORMYLATION PROCESS USING CHLOROPHOSPHITE-METAL CATALYST SYSTEM EASTMAN CHEM CO (US) 2004-03-17 EP disclosed
EP-1133356-A1 HYDROFORMYLATION PROCESS USING CHLOROPHOSPHITE-METAL CATALYST SYSTEM EASTMAN CHEMICAL COMPANY (US) 2001-09-19 EP disclosed
US-6232263-B1 ONE OR MORE TRANSITION METALS SELECTED FROM THE GROUP VIII METALS AND RHENIUM AND ONE OR MORE CHLOROPHOSPHITE EASTMAN CHEMICAL COMPANY 2001-05-15 US disclosed
US-6130358-A Hydroformylation process using novel phosphite-metal catalyst system EASTMAN CHEMICAL COMPANY (US) 2000-10-10 US disclosed
WO-2000023187-A1 HYDROFORMYLATION PROCESS USING CHLOROPHOSPHITE-METAL CATALYST SYSTEM EASTMAN CHEMICAL COMPANY (US) 2000-04-27 WO 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-20070060766-A1 Sterically hindered chelate phosphinite-phosphite ligand, catalyst, comprising at least one nickel(0) complex stabilized by said ligand and method for production of nitriles H1-3, H1-2, H1-4 TSHR 1017/4885SMN1; SMN2 1699/4885NPC1 1141/4885
US-20130053580-A1 ORGANOPHOSPHORUS COMPOUNDS, CATALYTIC SYSTEMS COMPRISING SAID COMPOUNDS AND METHOD OF HYDROCYANATION USING SAID CATALYTIC SYSTEMS ACHE, DDT, PNPO TSHR 3160/4885SMN1; SMN2 2607/4885NPC1 2668/4885

“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.