SCHEMBL2960192

SCHEMBL2960192

CC(C)(C)c1ccc(OP(Cl)c2ccccc2)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
CYP2C19 P33261 2/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL6819958 0.86 APEX1 (0.40) APEX1CYP2C19CA1CA2CA9
SCHEMBL7115234 0.84 APEX1 (0.39) APEX1CYP2C19CA1CA2CA9
SCHEMBL31556870 0.84 APEX1 (0.39) APEX1CYP2C19CA1CA2CA9
SCHEMBL7615315 0.84 APEX1 (0.39) APEX1CYP2C19CA1CA2CA9
SCHEMBL2368433 0.82 TDP1 (0.41) CYP2C19ALDH1A1CYP1A2TSHRRXRA
SCHEMBL11488213 0.81 CYP1A2 (0.36) CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1648352 0.80 APEX1 (0.39) APEX1CYP2C19CA1CA2CA9
SCHEMBL9171615 0.80 ALDH1A1 (0.39) APEX1CYP2C19CA1CA2CA9
SCHEMBL9299329 0.78 APEX1 (0.36) APEX1CYP2C19CA1CA2CA9
SCHEMBL9402856 0.78 RXRA (0.37) APEX1CYP2C19CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4233207-A STABILIZING POLYMERS AGAINST OXIDATION, HEAT, AND RADIATION CIBA-GEIGY CORPORATION (US) 1980-11-11 US claimed
EP-1472201-B1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF SE (DE) 2014-08-13 EP disclosed
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US disclosed
EP-1470136-B1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AG (DE) 2007-03-28 EP disclosed
US-20050020857-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
EP-1472201-A2 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2004-11-03 EP disclosed
WO-2003062171-A2 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2003-07-31 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 (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-20050020857-A1 Removal by salt formation PHOSPHO1, AASDHPPT, INPP5B APEX1 1101/4885CYP2C19 4288/4885CA1 520/4885

“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.