SCHEMBL366603

SCHEMBL366603

CC(C)c1cc(C(C)C)c(-c2ccccc2I)c(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
FABP3 P05413 2/20 0.36
FABP4 P15090 2/20 0.36
ROCK2 O75116 1/20 0.35
FABP5 Q01469 1/20 0.35
GABRB1 P18505 1/20 0.31
PDK2 Q15119 1/20 0.31
NR3C1 P04150 1/20 0.31
LMNA P02545 1/20 0.31
METAP2 P50579 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30

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
SCHEMBL28888574 0.86 SLC6A2 (0.32) LMNA
SCHEMBL28926447 0.80 GABRA1 (0.36) GABRA1GABRB2FABP3FABP4ROCK2
SCHEMBL28898717 0.80 CREBBP (0.37) LMNACA12CA1CA2CA9
SCHEMBL10280963 0.80 EGFR (0.33)
SCHEMBL28926436 0.79 LMNA (0.44) GABRA1GABRB2FABP3FABP4ROCK2
SCHEMBL28438073 0.79 GABRA1 (0.38) GABRA1GABRB2FABP3FABP4ROCK2
SCHEMBL365850 0.79 RXRA (0.32)
SCHEMBL29972864 0.79 GABRA1 (0.41) GABRA1GABRB2FABP3FABP4ROCK2
SCHEMBL7715672 0.78 GABRA1 (0.50) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL366622 0.78 GABRA1 (0.37) GABRA1GABRB2FABP3FABP4ROCK2

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4180440-B1 CYCLIC BIARYLPHOSPHINES AS LIGANDS FOR PALLADIUM-CONTAINING CATALYSTS IN CROSS-COUPLING REACTIONS HERAEUS PRECIOUS METALS GMBH (DE) 2026-01-28 EP disclosed
WO-2023088620-A1 CYCLIC BIARYL PHOSPHINES AS LIGANDS FOR PALLADIUM-CONTAINING CATALYSTS IN CROSS-COUPLING REACTIONS Heraeus Deutschland GmbH & Co. KG (DE) 2023-05-25 WO disclosed
EP-4180440-A1 CYCLIC BIARYLPHOSPHINES AS LIGANDS FOR PALLADIUM-CONTAINING CATALYSTS IN CROSS-COUPLING REACTIONS Heraeus Deutschland GmbH & Co. KG (DE) 2023-05-17 EP disclosed
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-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-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
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
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 (3 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-20130217876-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 GABRA1 4090/4885GABRB2 4184/4885FABP3 3319/4885
US-20160263566-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PLCG2, PPIP5K2 GABRA1 4090/4885GABRB2 4184/4885FABP3 3319/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA GABRA1 3481/4885GABRB2 3693/4885FABP3 3351/4885

“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.