SCHEMBL10177387

SCHEMBL10177387

COc1cc(C)cc(-c2ccccc2P2C(C)(C)CC3(CC2(C)C)OCCO3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
ABCB1 P08183 2/20 0.36
BCR P11274 2/20 0.36
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BACE1 P56817 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP4B1 P13584 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP3A5 P20815 1/20 0.31
CYP2A7 P20853 1/20 0.31
CYP3A7 P24462 1/20 0.31

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
SCHEMBL413695 0.93 ABL1 (0.42) ABL1ABCB1BCRMAPK1SMN1; SMN2
SCHEMBL10177365 0.80 ABL1 (0.38) ABL1ABCB1BCRSMN1; SMN2MAPT
SCHEMBL24535255 0.78
SCHEMBL20862862 0.77 ABL1 (0.39) ABL1ABCB1BCRSMN1; SMN2BACE1
SCHEMBL352304 0.77 HTR7 (0.36) SMN1; SMN2KDM4EALDH1A1MAPTTDP1
SCHEMBL10177366 0.76 SMN1; SMN2 (0.34) MAPK1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10177371 0.75 MEN1 (0.31) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL16103798 0.74
SCHEMBL408863 0.72 S1PR1 (0.33) SMN1; SMN2
SCHEMBL352055 0.72 MAPT (0.46) SMN1; SMN2KDM4EALDH1A1MAPTHPGD

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 ABL1 172/4885ABCB1 4254/4885BCR 1587/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ABL1 114/4885ABCB1 4452/4885BCR 1147/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ABL1 114/4885ABCB1 4452/4885BCR 1147/4885
US-20150152126-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ABL1 114/4885ABCB1 4452/4885BCR 1147/4885
US-20150360215-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 ABL1 114/4885ABCB1 4452/4885BCR 1147/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA ABL1 172/4885ABCB1 4254/4885BCR 1587/4885

“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.