SCHEMBL3960261

SCHEMBL3960261

c1ccc2cc(OP(Oc3ccc4ccccc4c3)Oc3ccc4ccccc4c3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.56
CYP1A2 P05177 3/20 0.56
AGXT P21549 2/20 0.50
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
ALOX5 P09917 1/20 0.47
GAA P10253 1/20 0.45
RCE1 Q9Y256 1/20 0.45
GPR84 Q9NQS5 1/20 0.45
MAPT P10636 2/20 0.44
PTPN7 P35236 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL9446594 0.85 ALDH1A1 (0.52) CYP2A6CYP1A2AGXTTDP1GAA
SCHEMBL11040449 0.82 ESR1 (0.55) CYP2A6CYP1A2AGXTKDM4ECA1
SCHEMBL20710755 0.82 CYP2A6 (0.48) CYP2A6CYP1A2AGXTTDP1KDM4E
SCHEMBL8397144 0.81 CYP2A6 (0.52) CYP2A6CYP1A2AGXTTDP1KDM4E
SCHEMBL10946368 0.81 CYP2A6 (0.52) CYP2A6CYP1A2AGXTTDP1KDM4E
SCHEMBL4238279 0.81 CYP1A2 (0.52) CYP2A6CYP1A2AGXTTDP1KDM4E
SCHEMBL11587475 0.81 CYP1A2 (0.52) CYP2A6CYP1A2AGXTTDP1KDM4E
SCHEMBL27619363 0.81 CYP2A6 (0.52) CYP2A6CYP1A2AGXTTDP1KDM4E
SCHEMBL13839484 0.80 KMT2A (0.42) CYP2A6CYP1A2TDP1GAARCE1
SCHEMBL8487523 0.80 NCOA1 (0.42) CYP2A6CYP1A2AGXTTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US claimed
EP-1713757-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-10-25 EP claimed
US-20050215825-A1 Hydroaminomethylation of olefins UNION CARBIDE CORPORATION 2005-09-29 US claimed
WO-2005077884-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-08-25 WO claimed
US-3966697-A CATALYST OF COBALT COMPOUND, ORGANOALUMINUM HALIDE, PHOSPHITE, H-ACIDIC COMPOUND CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed
JP-4288033-A None JP disclosed
US-20230257619-A1 Curing of reaction resins using unsaturated peroxides as initiators and organic phosphites as accelerators RÖHM GMBH (DE) 2023-08-17 US disclosed
WO-2020124996-A1 METHOD FOR STABILIZING PHOSPHITE LIGAND AND APPLICATION THEREOF 浙江新和成股份有限公司 2020-06-25 WO disclosed
US-20090312450-A1 POLYURETHANES MADE FROM HYDROXYL-CONTAINING FATTY ACID AMIDES DOW GLOBAL TECHNOLOGIES, INC. 2009-12-17 US disclosed
EP-1913049-B1 POLYURETHANES MADE FROM HYDROXYL-CONTAINING FATTY ACID AMIDES DOW GLOBAL TECHNOLOGIES INC (US) 2009-07-22 EP disclosed
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US disclosed
EP-1713757-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-10-25 EP disclosed
US-4202844-A OXIDATION OF ORGANIC PHOSPHITES WITH NITROGEN DIOXIDE AS CATALYST TENNECO CHEMICALS, INC. (US) 1980-05-13 US disclosed
US-4202843-A Process for the production of organic phosphates by nitric acid oxidation of organic phosphites TENNECO CHEMICALS, INC. (US) 1980-05-13 US disclosed
US-4187385-A TITANIUM COMPONENT COPULVERIZED WITH ORGANOALUMINUM COMPOUND AND ETHYLENE OR A-OLEFINS, PARTICLE SIZE MITSUI TOATSU CHEMICAL, INC. (JP) 1980-02-05 US disclosed
US-4125540-A WITH ORGANO-PHOSPHORUS COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1978-11-14 US disclosed
US-4087411-A TRIOXANE, BORON FLUORIDE-TYPE CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1978-05-02 US disclosed
US-4067903-A Manufacture of arylamines BASF AKTIENGESELLSCHAFT (DT) 1978-01-10 US disclosed
US-4028481-A ACTIVATED TITANIUM TRICHLORIDE AND AN ORGANOALUMINUM COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JA) 1977-06-07 US disclosed
US-3966697-A CATALYST OF COBALT COMPOUND, ORGANOALUMINUM HALIDE, PHOSPHITE, H-ACIDIC COMPOUND CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1976-06-29 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-20050215825-A1 Hydroaminomethylation of olefins HRH2, HRH4, HRH1 CYP2A6 146/4885CYP1A2 204/4885AGXT 2042/4885

“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.