SCHEMBL411360

SCHEMBL411360

CC1(C)CC(=O)CC(C)(C)P1c1ccnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 7/20 0.36
CYP2C9 P11712 5/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
PDE10A Q9Y233 3/20 0.34

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
SCHEMBL411763 0.83 ALDH1A1 (0.39) ALDH1A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL371337 0.78 POLB (0.37) POLBALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10280967 0.77 TP53 (0.35) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL24535435 0.74 CYP11B2 (0.37) ALDH1A1CYP2C9CYP2C19CYP1A2SMN1; SMN2
SCHEMBL2435451 0.69 NPC1 (0.33) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL412435 0.67 PTGS2 (0.36) ALDH1A1CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL24535419 0.66 MEN1 (0.41) POLBALDH1A1CYP1A2SMN1; SMN2HTT
SCHEMBL24535424 0.63 TDP2 (0.33) POLBALDH1A1CYP2C9CYP2C19CYP1A2
SCHEMBL28848546 0.62 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL518753 0.62 POLB (0.44) POLBALDH1A1CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593226-B1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE IRELAND UNLIMITED CO (IE) 2018-11-14 EP claimed
US-9381508-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2016-07-05 US claimed
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2015-12-17 US claimed
US-9200021-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2015-12-01 US claimed
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2015-06-04 US claimed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US claimed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US claimed
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed
EP-2593226-B1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE IRELAND UNLIMITED CO (IE) 2018-11-14 EP disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 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 (4 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-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885ALDH1A1 4611/4885CYP2C9 2531/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885ALDH1A1 4611/4885CYP2C9 2531/4885
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885ALDH1A1 4611/4885CYP2C9 2531/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA POLB 498/4885ALDH1A1 4364/4885CYP2C9 1453/4885

“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.