SCHEMBL10177362

SCHEMBL10177362

COc1ccc(C)c(-c2c(C)cc(C)cc2C)c1P1C(C)(C)CC(=O)CC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLL Q9UGP5 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 1/20 0.31
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
PTGER3 P43115 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
SCHEMBL351679 0.94 KDM4E (0.39) ALDH1A1KDM4EHPGDHSD17B10POLL
SCHEMBL10177361 0.82 POLL (0.39) ALDH1A1KDM4EHPGDHSD17B10POLL
SCHEMBL10177363 0.81 CA1 (0.34) ALDH1A1KDM4EHPGDHSD17B10POLL
SCHEMBL10177383 0.79 ALDH1A1 (0.31) ALDH1A1KMT2A
SCHEMBL351988 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10POLL
SCHEMBL349470 0.72 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL350523 0.72 CA1 (0.39) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL30865720 0.69 CA1 (0.44) ALDH1A1KDM4EHPGDHSD17B10USP2
SCHEMBL20862829 0.67 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10FFAR4
SCHEMBL10177390 0.66 ALDH1A1 (0.34) ALDH1A1TSHRGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2015-12-17 US disclosed
US-9200021-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2015-12-01 US disclosed
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. 2015-06-04 US disclosed
US-8975443-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2015-03-10 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 ALDH1A1 4364/4885KDM4E 3814/4885HPGD 1269/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ALDH1A1 4611/4885KDM4E 3762/4885HPGD 1936/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ALDH1A1 4611/4885KDM4E 3762/4885HPGD 1936/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ALDH1A1 4611/4885KDM4E 3762/4885HPGD 1936/4885
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ALDH1A1 4611/4885KDM4E 3762/4885HPGD 1936/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA ALDH1A1 4364/4885KDM4E 3814/4885HPGD 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.