SCHEMBL2929939

SCHEMBL2929939

C(CCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)CP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.36
GRIN3B O60391 7/20 0.36
GRIN1 Q05586 7/20 0.36
GRIN2A Q12879 7/20 0.36
GRIN2B Q13224 7/20 0.36
GRIN2C Q14957 7/20 0.36
GRIN3A Q8TCU5 7/20 0.36
LMNA P02545 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2826588 0.94 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2832554 0.92 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6105432 0.92 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26786777 0.89 EPHX2 (0.41) SMN1; SMN2
SCHEMBL14466783 0.89 EPHX2 (0.41) SMN1; SMN2
SCHEMBL2927873 0.87 EPHX2 (0.43) TSHRTHRB
SCHEMBL2921447 0.87 EPHX2 (0.43) TSHRTHRB
SCHEMBL128692 0.85 EPHX2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20077560 0.85 EPHX2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20067101 0.85 EPHX2 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348356-A1 BUTYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION EVONIK OPERATIONS GMBH (DE) 2023-11-02 US disclosed
US-20210276939-A1 BUTYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION EVONIK OPERATIONS GMBH (DE) 2021-09-09 US disclosed
EP-3121180-B1 BUTYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION EVONIK DEGUSSA GMBH (DE) 2018-09-12 EP disclosed
US-20170022138-A1 BUTYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION EVONIK DEGUSSA GMBH (DE) 2017-01-26 US disclosed
EP-3121180-A2 BUTYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION Evonik Degussa GmbH (DE) 2017-01-25 EP disclosed
US-20150231121-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2015-08-20 US disclosed
EP-1303525-B1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS EVONIK DEGUSSA GMBH (DE) 2010-09-08 EP disclosed
US-7148176-B2 Production of novel phosphane ligands and use in catalytical reactions DEGUSSA AG (DE) 2006-12-12 US disclosed
US-20040068131-A1 (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics EVONIK DEGUSSA GMBH (DE) 2004-04-08 US disclosed
EP-1303525-A1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS Degussa AG (DE) 2003-04-23 EP disclosed
WO-2002010178-A1 ADAMANTYL GROUPS CONTAINING PHOSPHANE LIGANDS, THE PRODUCTION AND USE THEREOF IN CATALYTICAL REACTIONS DEGUSSA AG (DE) 2002-02-07 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 (5 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-20230348356-A1 BUTYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION C3AR1, CBR3, C1R GRIN2D 2441/4885GRIN3B 1501/4885GRIN1 1952/4885
US-20040068131-A1 (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics NAPEPLD, NAPA, APBA1 GRIN2D 1630/4885GRIN3B 2849/4885GRIN1 1180/4885
US-20150231121-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 GRIN2D 401/4885GRIN3B 49/4885GRIN1 48/4885
US-20210276939-A1 BUTYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION C3AR1, CBR3, C1R GRIN2D 2441/4885GRIN3B 1501/4885GRIN1 1952/4885
US-20170022138-A1 BUTYL-BRIDGED DIPHOSPHINE LIGANDS FOR ALKOXYCARBONYLATION C3AR1, CBR3, C1R GRIN2D 2461/4885GRIN3B 1508/4885GRIN1 1975/4885

“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.