SCHEMBL10177330

SCHEMBL10177330

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL366634 0.89 CA1 (0.40) POLBGAAGFERMEN1KMT2A
SCHEMBL12929982 0.84 POLB (0.42) POLBGAAGFERMEN1KMT2A
SCHEMBL10177355 0.82 POLB (0.41) POLBGAAGFERMEN1KMT2A
SCHEMBL26328949 0.81 POLB (0.39) POLBGAAGFERMEN1KMT2A
SCHEMBL12994015 0.81 CA1 (0.36) POLBGAAGFERMEN1KMT2A
SCHEMBL30084319 0.78 POLB (0.38) POLBGAAGFERMEN1KMT2A
SCHEMBL21521378 0.78 POLB (0.38) POLBGAAGFERMEN1KMT2A
SCHEMBL12994013 0.78 GABRA1 (0.41) MEN1KMT2ACYP2D6CA1CA2
SCHEMBL17924613 0.77 GAA (0.35) POLBGAAGFERMEN1KMT2A
SCHEMBL29355132 0.76 POLB (0.36) POLBGAAGFERMEN1KMT2A

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 POLB 498/4885GAA 1854/4885GFER 1176/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885GAA 3032/4885GFER 1775/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885GAA 3032/4885GFER 1775/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885GAA 3032/4885GFER 1775/4885
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 POLB 494/4885GAA 3032/4885GFER 1775/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA POLB 498/4885GAA 1854/4885GFER 1176/4885

“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.