SCHEMBL10177310

SCHEMBL10177310

COc1cccc(C)c1-c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TOP1 P11387 1/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
DUSP3 P51452 1/20 0.43
APAF1 O14727 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ELANE P08246 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL366191 0.89 TOP1 (0.48) ALDH1A1TOP1MAPTMEN1KMT2A
SCHEMBL1768355 0.87 TOP1 (0.47) ALDH1A1TOP1MAPTMEN1KMT2A
SCHEMBL12104260 0.85 TOP1 (0.48) ALDH1A1TOP1MAPTMEN1KMT2A
SCHEMBL31264394 0.82 ALDH1A1 (0.56) ALDH1A1TDP1CA1CA2CA7
SCHEMBL1768477 0.81 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL5451198 0.80 ALDH1A1 (0.55) ALDH1A1TOP1MAPTMEN1KMT2A
SCHEMBL13685138 0.80 FGFR1 (0.46) ALDH1A1TOP1MAPTMEN1KMT2A
SCHEMBL5461155 0.79 ALDH1A1 (0.50) ALDH1A1TOP1MAPTMEN1KMT2A
SCHEMBL1133437 0.79 APP (0.55) ALDH1A1TOP1MAPTMEN1KMT2A
SCHEMBL29924031 0.79 RAB9A (0.39) ALDH1A1MAPTMEN1KMT2ATDP1

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 4364/4885TOP1 406/4885MAPT 4495/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ALDH1A1 4611/4885TOP1 667/4885MAPT 3777/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ALDH1A1 4611/4885TOP1 667/4885MAPT 3777/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ALDH1A1 4611/4885TOP1 667/4885MAPT 3777/4885
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ALDH1A1 4611/4885TOP1 667/4885MAPT 3777/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA ALDH1A1 4364/4885TOP1 406/4885MAPT 4495/4885

“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.