SCHEMBL4888931

SCHEMBL4888931

B.COc1ccccc1Pc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA4 P22748 1/20 0.48
ALDH1A1 P00352 5/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ENPP2 Q13822 1/20 0.38
NQO2 P16083 3/20 0.37
TRPA1 O75762 1/20 0.37
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL4444463 0.98 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL30810811 0.98 CA1 (0.50) CA1CA2CA7CA9CA12
Lithium SCHEMBL30810804 0.96 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL28379424 0.96 CA1 (0.48) CA1CA2CA7CA9CA12
Ethane SCHEMBL27774044 0.96 CA1 (0.48) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL2154353 0.96 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL3410859 0.87 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL29591833 0.84 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL49810 0.84 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL4349591 0.84 CA1 (0.44) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707553-B2 P-chirogenic organophosphorus compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-07-18 US disclosed
EP-3150613-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-04-05 EP disclosed
EP-2731956-B1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NAT RECH SCIENT (FR) 2016-11-09 EP disclosed
US-20160023199-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS SYNTHELOR SAS (FR) 2016-01-28 US disclosed
US-9186661-B2 P-chirogenic organophosphorus compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-11-17 US disclosed
US-20140142325-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE(CNRS) (FR) 2014-05-22 US disclosed
EP-2731956-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS Centre National de la Recherche Scientifique (C.N.R.S.) (FR) 2014-05-21 EP disclosed
US-8404915-B2 1) at least one diaryl-substituted diphosphine ligand; 2) a chromium metal precursor; and 3) optionally, one or more activators EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-03-26 US disclosed
WO-2013007724-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-01-17 WO disclosed
US-20080058486-A1 Phosphine Ligand-Metal Compositions, Complexes, and Catalysts For Ethylene Trimerizations SYMYX TECHNOLOGIES INC. 2008-03-06 US disclosed
US-20040133042-A1 Diphosphines BROWN JOHN MICHAEL (GB) 2004-07-08 US disclosed
US-6706926-B1 ENANTIOSELECTIVE HYDROGENATION CATALYSTS ISIS INNOVATION LIMITED (GB) 2004-03-16 US disclosed
EP-1124833-B1 DIPHOSPHINES ISIS INNOVATION (GB) 2003-01-08 EP disclosed
EP-1124833-A1 DIPHOSPHINES ISIS INNOVATION LIMITED (GB) 2001-08-22 EP disclosed
WO-2000026220-A1 DIPHOSPHINES ISIS INNOVATION LIMITED (GB) 2000-05-11 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-20040133042-A1 Diphosphines SIGMAR1, SSR4, LBR CA1 3498/4885CA2 1516/4885CA7 3142/4885
US-20160023199-A1 P-CHIROGENIC ORGANOPHOSPHORUS COMPOUNDS ACHE, PTMS, DDT CA1 102/4885CA2 27/4885CA7 47/4885

“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.