SCHEMBL10177366

SCHEMBL10177366

COc1cccc(C)c1-c1ccccc1P1C(C)(C)CC2(CC1(C)C)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 2/20 0.33
NQO1 P15559 1/20 0.33
POR P16435 1/20 0.33
PDK2 Q15119 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
FGB P02675 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA2A P29274 1/20 0.32
PPARG P37231 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL352304 0.93 HTR7 (0.36) SMN1; SMN2TSHRIDO1NQO1POR
SCHEMBL351106 0.85 MAPK1 (0.34) SMN1; SMN2TSHRPDK2ALDH1A1MAPT
SCHEMBL352055 0.82 MAPT (0.46) SMN1; SMN2TSHRALDH1A1MAPTMEN1
SCHEMBL10177367 0.81 NSD2 (0.36) PDK2ALDH1A1MAPTMAPK1LMNA
SCHEMBL10177371 0.81 MEN1 (0.31) SMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL10177358 0.80 ALDH1A1 (0.39) SMN1; SMN2IDO1NQO1PORALDH1A1
SCHEMBL24535255 0.79
SCHEMBL413695 0.77 ABL1 (0.42) SMN1; SMN2TSHRALDH1A1MAPTMEN1
SCHEMBL10177387 0.76 ABL1 (0.36) SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL370091 0.74

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 13 patents. 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
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 SMN1; SMN2 4274/4885TSHR 2675/4885IDO1 2417/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 SMN1; SMN2 4054/4885TSHR 3889/4885IDO1 2521/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 SMN1; SMN2 4054/4885TSHR 3889/4885IDO1 2521/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 SMN1; SMN2 4054/4885TSHR 3889/4885IDO1 2521/4885
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 SMN1; SMN2 4054/4885TSHR 3889/4885IDO1 2521/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA SMN1; SMN2 4274/4885TSHR 2675/4885IDO1 2417/4885

“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.