SCHEMBL5859375

SCHEMBL5859375

C=CCc1c[c]cc(CC=C)c1N(CC=C)CC=C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHKA P35790 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
SCHEMBL11376288 0.73 CRHR1 (0.33)
SCHEMBL7058487 0.72 GABRA1 (0.34)
SCHEMBL299309 0.70 GABRA1 (0.47)
SCHEMBL14882190 0.66
SCHEMBL3547696 0.65 CYP3A4 (0.45)
SCHEMBL2788522 0.64 GABRA1 (0.41)
SCHEMBL2536793 0.64 GABRA1 (0.36)
SCHEMBL9442884 0.63 GABRA1 (0.37)
SCHEMBL13281358 0.63 GABRA1 (0.38)
SCHEMBL9279818 0.62 GABRA1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507783-B1 HYDROXY DIPHOSPHINES AND THEIR USE IN CATALYSIS DEGUSSA (DE) 2006-12-27 EP claimed
US-7081533-B2 Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation DEGUSSA AG (DE) 2006-07-25 US claimed
US-20060089469-A1 Hydroxy diphosphines and their use in catalysis DEGUSSA AG (DE) 2006-04-27 US claimed
EP-1507783-A1 HYDROXY DIPHOSPHINES AND THEIR USE IN CATALYSIS Degussa AG (DE) 2005-02-23 EP claimed
EP-1311517-B1 CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS DEGUSSA (DE) 2004-07-14 EP claimed
US-20040019205-A1 Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation DEGUSSA AG (DE) 2004-01-29 US claimed
EP-1201673-B1 Bidentate organophosphorous ligands and their use in catalysis DEGUSSA (DE) 2004-01-14 EP claimed
WO-2003099832-A1 HYDROXY DIPHOSPHINES AND THEIR USE IN CATALYSIS DEGUSSA AG (DE) 2003-12-04 WO claimed
US-6573389-B1 As catalysts for asymmetric reaction or polymerization DEGUSSA AG (DE) 2003-06-03 US claimed
EP-1175426-B1 BIDENTATE ORGANOPHOSPHOROUS LIGANDS AND THEIR USE DEGUSSA (DE) 2003-05-28 EP claimed
EP-1311517-A1 CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS Degussa AG (DE) 2003-05-21 EP claimed
JP-2002543086-A 2002-12-17 JP claimed
US-6476246-B2 UNSYMMETRICAL BICYCLOALIPHATIC CHIRAL DIPHOSPHINES AND PHOSPHINE PHOSPHINITES, COMPLEXES OF THESE COMPOUNDS WITH METALS OF GROUPS VIIB, VIIIB AND IB AS HYDROGENATION CATALYSTS DEGUSSA AG (DE) 2002-11-05 US claimed
US-20020095049-A1 Unsymmetrical bicycloaliphatic chiral diphosphines and phosphine phosphinites, complexes of these compounds with metals of groups VIIb, VIIIb and Ib as hydrogenation catalysts DEGUSSA AG (DE) 2002-07-18 US claimed
EP-1201673-A1 Bidentate organophosphorous ligands and their use in catalysis Degussa Aktiengesellschaft (DE) 2002-05-02 EP claimed
WO-2002014330-A1 CYCLOALIPHATIC/AROMATIC DIPHOSPHINES AND USE THEREOF IN CATALYSIS DEGUSSA AG (DE) 2002-02-21 WO claimed
EP-1175426-A1 BIDENTATE ORGANOPHOSPHOROUS LIGANDS AND THEIR USE Degussa AG (DE) 2002-01-30 EP claimed
WO-2000064914-A1 BIDENTATE ORGANOPHOSPHOROUS LIGANDS AND THEIR USE DEGUSSA AG (DE) 2000-11-02 WO claimed
US-7081533-B2 Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation DEGUSSA AG (DE) 2006-07-25 US disclosed
WO-2000064914-A1 BIDENTATE ORGANOPHOSPHOROUS LIGANDS AND THEIR USE DEGUSSA AG (DE) 2000-11-02 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 (3 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-20060089469-A1 Hydroxy diphosphines and their use in catalysis GNPAT, DCPS, HDHD5 CHKA 840/4885
US-20020095049-A1 Unsymmetrical bicycloaliphatic chiral diphosphines and phosphine phosphinites, complexes of these compounds with metals of groups VIIb, VIIIb and Ib as hydrogenation catalysts INPP5B, PI4K2B, PIP4K2B CHKA 1170/4885
US-20040019205-A1 Phosphorus compounds used as catalysts for asymmetric hydrogenation, hydroformylation, rearrangement, alkylation, cyclization, hydrosilation, hydrocyanation or aldol condensation GNPAT, PNKP, PHOSPHO1 CHKA 2606/4885

“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.