SCHEMBL367308

SCHEMBL367308

COc1ccc(OC)c(-c2c(C)cc(C)cc2C)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PTGER3 P43115 1/20 0.38
PKM P14618 1/20 0.37
CRHR1 P34998 4/20 0.35
KDM4E B2RXH2 4/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 5/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34
G6PD P11413 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 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
SCHEMBL10177293 0.91 ALDH1A1 (0.41) ACHEALDH1A1CYP3A4FFAR4PTGER3
SCHEMBL18922475 0.80 ACHE (0.45) ACHEALDH1A1CYP3A4FFAR4PTGER3
SCHEMBL24557402 0.78 RAPGEF4 (0.44) ACHEALDH1A1CYP3A4PKMKDM4E
SCHEMBL29924453 0.77 MAPT (0.42) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL365166 0.77 ACHE (0.42) ACHEALDH1A1CYP3A4FFAR4PTGER3
SCHEMBL12994033 0.75 CA1 (0.46) ALDH1A1CYP3A4KDM4EGLAGAA
SCHEMBL20862829 0.74 ALDH1A1 (0.44) ACHEALDH1A1CYP3A4FFAR4PTGER3
SCHEMBL30084312 0.74 CA1 (0.36) ACHEALDH1A1CYP3A4GAAHTT
SCHEMBL30833916 0.73 ACHE (0.52) ACHEALDH1A1CYP3A4FFAR4PKM
SCHEMBL10177354 0.72 ALDH1A1 (0.41) ACHEALDH1A1CYP3A4FFAR4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2016-09-15 US disclosed
US-9381508-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2016-07-05 US disclosed
US-9381508-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2016-07-05 US disclosed
US-9266913-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2016-02-23 US disclosed
US-20140371446-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2014-12-18 US disclosed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 US disclosed
US-8841487-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2014-09-23 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
EP-2593226-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS Abbvie Inc. (US) 2013-05-22 EP 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
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-20140371446-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA ACHE 106/4885ALDH1A1 4364/4885CYP3A4 1076/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ACHE 208/4885ALDH1A1 4611/4885CYP3A4 2047/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ACHE 208/4885ALDH1A1 4611/4885CYP3A4 2047/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA ACHE 106/4885ALDH1A1 4364/4885CYP3A4 1076/4885

“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.