SCHEMBL2882498

SCHEMBL2882498

CC(C)(C)c1cc(C(C)(C)C)c(P(Cl)Cl)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
POLB P06746 2/20 0.34
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSP90AA1 P07900 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL1043315 0.90 GABBR2 (0.33) GABRA1GABRB2GABBR2GABBR1
SCHEMBL1042458 0.86 GABRA1 (0.31) GABRA1GABRB2GABBR2GABBR1
SCHEMBL27274680 0.81 SMN1; SMN2 (0.50) POLBCYP1A2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5699601 0.80 GABRA1 (0.40) GABRA1GABRB2POLBCYP1A2ALDH1A1
SCHEMBL2545977 0.76 GABRA1 (0.37) GABRA1GABRB2POLBCYP1A2ALDH1A1
SCHEMBL29572569 0.73 CYP1A2 (0.37) GABRA1GABRB2POLBCYP1A2ALDH1A1
SCHEMBL1042617 0.73 SMN1; SMN2 (0.42) POLBCYP1A2ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL25468636 0.72 GABRA1 (0.42) GABRA1GABRB2POLBCYP1A2ALDH1A1
SCHEMBL28682542 0.71 GABRA1 (0.33) GABRA1GABRB2POLBCYP1A2ALDH1A1
SCHEMBL9347288 0.71 ALDH1A1 (0.39) CYP1A2ALDH1A1SMN1; SMN2KDM4EMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP claimed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US claimed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US claimed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP claimed
CN-113896875-B Intramolecular trifunctional Lewis acid-base pair catalyst, annular topological structure PMMBL polymer, preparation method and application 吉林大学 2022-05-31 CN disclosed
US-7847126-B2 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2010-12-07 US disclosed
EP-1354886-B1 Process for the preparation of tertiary phosphines SALTIGO GMBH (DE) 2009-08-26 EP disclosed
US-20070299273-A1 prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example LANXESS DEUTSCHLAND GMBH (DE) 2007-12-27 US disclosed
US-7230136-B2 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2007-06-12 US disclosed
US-7030200-B2 Catalysts for olefin polymerization E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-04-18 US disclosed
US-20050245702-A1 Catalysts for olefin polymerization UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2005-11-03 US disclosed
US-20030229240-A1 Reacting phosphorus halide with organomagnesium compound in presence of copper compound LANXESS DEUTSCHLAND GMBH (DE) 2003-12-11 US disclosed
EP-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed
WO-2003076450-A1 CATALYSTS FOR OLEFIN POLYMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-09-18 WO disclosed
EP-0712828-A1 Process for preparing an aldehyde DSM N.V. (NL) 1996-05-22 EP 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 (1 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-20050245702-A1 Catalysts for olefin polymerization PNMT, PPOX, ETFA GABRA1 4105/4885GABRB2 3632/4885POLB 510/4885

“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.