SCHEMBL351679

SCHEMBL351679

COc1ccc(OC)c(P2C(C)(C)CC(=O)CC2(C)C)c1-c1c(C)cc(C)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
POLL Q9UGP5 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.32
PKM P14618 1/20 0.32
MAPT P10636 2/20 0.31

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
SCHEMBL10177362 0.94 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10POLL
SCHEMBL349470 0.79 ALDH1A1 (0.32) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL351988 0.78 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10POLL
SCHEMBL10177361 0.78 POLL (0.39) KDM4EALDH1A1HPGDHSD17B10POLL
SCHEMBL350523 0.78 CA1 (0.39) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL10177383 0.73 ALDH1A1 (0.31) ALDH1A1HTTKMT2A
SCHEMBL30865720 0.72 CA1 (0.44) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL10177358 0.67 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL18922475 0.66 ACHE (0.45) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL351987 0.65 CA1 (0.42) KDM4EALDH1A1HPGDHSD17B10CA1

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 61 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
EP-2593439-B1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2016-08-17 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-8975443-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2015-03-10 US claimed
US-8895737-B2 Process for preparing antiviral compounds ABBVIE INC. 2014-11-25 US claimed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US claimed
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US claimed
EP-2593439-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS Abbvie Inc. (US) 2013-05-22 EP claimed
EP-2593226-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS Abbvie Inc. (US) 2013-05-22 EP claimed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US claimed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO claimed
WO-2012009699-A2 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 WO claimed
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed
EP-3415504-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2018-12-19 EP disclosed
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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 (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-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 KDM4E 3762/4885ALDH1A1 4611/4885HPGD 1936/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 KDM4E 3762/4885ALDH1A1 4611/4885HPGD 1936/4885
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 KDM4E 3762/4885ALDH1A1 4611/4885HPGD 1936/4885
US-20120014913-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUNDS HAVCR2, MAVS, RNASE1 KDM4E 3572/4885ALDH1A1 2059/4885HPGD 3124/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA KDM4E 3814/4885ALDH1A1 4364/4885HPGD 1269/4885

“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.