SCHEMBL365296

SCHEMBL365296

COc1cc(Br)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37

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
SCHEMBL10177296 0.89 POLB (0.41) HTR2ATAAR1P2RX3P2RX2POLB
SCHEMBL366949 0.80 GABRA1 (0.34) HTR2APOLBGAAGFER
SCHEMBL20862825 0.75 HDAC4 (0.31) TAAR1
SCHEMBL28926516 0.75 GABRA1 (0.35) POLBGAAGFER
SCHEMBL29986284 0.75 APP (0.46)
SCHEMBL7281047 0.74 CYP1A2 (0.46) P2RX3P2RX2POLBGAAGFER
SCHEMBL27143368 0.73 POLB (0.52) HTR2ATAAR1POLB
SCHEMBL365347 0.73 L3MBTL1 (0.36) TAAR1POLB
SCHEMBL13748156 0.72 P2RX3 (0.55) HTR2ATAAR1P2RX3P2RX2POLB
Ammonia Solution, Strong SCHEMBL27836692 0.72 CYP1A2 (0.45) P2RX3P2RX2POLBGAAGFER

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 30 patents — showing the first 20. 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
EP-3461556-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS AbbVie Ireland Unlimited Company (IE) 2019-04-03 EP disclosed
EP-2593226-B1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE IRELAND UNLIMITED CO (IE) 2018-11-14 EP disclosed
US-9669399-B2 Phosphine ligands for catalytic reactions ABBVIE INC. (US) 2017-06-06 US 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-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-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-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-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-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBVIE INC. (US) 2013-08-22 US disclosed
EP-2593226-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS Abbvie Inc. (US) 2013-05-22 EP disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO 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 (4 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 HTR2A 2333/4885TAAR1 1779/4885P2RX3 3259/4885
US-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 HTR2A 2629/4885TAAR1 1984/4885P2RX3 3651/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 HTR2A 2629/4885TAAR1 1984/4885P2RX3 3651/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA HTR2A 2333/4885TAAR1 1779/4885P2RX3 3259/4885

“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.