SCHEMBL13199352

SCHEMBL13199352

CC(C)(C)c1ccccc1OP(Oc1ccccc1-c1ccccc1OP(Oc1ccccc1C(C)(C)C)c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCHE P06276 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.33
RBP4 P02753 3/20 0.33
NISCH Q9Y2I1 1/20 0.33
IDO1 P14902 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
SCHEMBL3418456 0.93 TDP1 (0.42) TDP1ATMMAPTTP53ALDH1A1
SCHEMBL8939054 0.81 MAPT (0.38) TDP1ATMMAPTTP53ALDH1A1
SCHEMBL31556872 0.80 TDP1 (0.36) TDP1ATMMAPTTP53ALDH1A1
SCHEMBL10309813 0.80 TDP1 (0.33) TDP1ATMMAPTTP53ALDH1A1
SCHEMBL28363499 0.79 TDP1 (0.42) TDP1ATMMAPTTP53ALDH1A1
SCHEMBL8938990 0.78 CYP1A2 (0.40) TDP1ATMMAPTTP53ALDH1A1
SCHEMBL8360217 0.77 CA2 (0.40) TDP1ATMALDH1A1KDM4EGAA
SCHEMBL12809508 0.76 IDO1 (0.32) TDP1ATMIDO1
SCHEMBL27772030 0.76 NAMPT (0.44) TDP1ATMMAPTTP53ALDH1A1
SCHEMBL2368433 0.76 TDP1 (0.41) TDP1ATMMAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10035756-B2 Integrated process for nitrile manufacture with enhanced liquid-liquid extraction INVISTA NORTH AMERICA S.A.R.L. (US) 2018-07-31 US disclosed
US-10035756-B2 Integrated process for nitrile manufacture with enhanced liquid-liquid extraction INVISTA NORTH AMERICA S.A.R.L. (US) 2018-07-31 US disclosed
US-9914700-B2 Enhanced extraction of impurities from mixture comprising nitriles INVISTA NORTH AMERICA S.A R.L. (US) 2018-03-13 US disclosed
US-9914700-B2 Enhanced extraction of impurities from mixture comprising nitriles INVISTA NORTH AMERICA S.A R.L. (US) 2018-03-13 US disclosed
US-20170197909-A1 ENHANCED EXTRACTION OF IMPURITIES FROM MIXTURE COMPRISING NITRILES INVISTA NORTH AMERICA S.A R.L. (US) 2017-07-13 US disclosed
US-20170197909-A1 ENHANCED EXTRACTION OF IMPURITIES FROM MIXTURE COMPRISING NITRILES INVISTA NORTH AMERICA S.A R.L. (US) 2017-07-13 US disclosed
US-9676800-B2 Extraction solvent control for reducing stable emulsions INVISTA NORTH AMERICA S.A.R.L. (US) 2017-06-13 US disclosed
US-9676800-B2 Extraction solvent control for reducing stable emulsions INVISTA NORTH AMERICA S.A.R.L. (US) 2017-06-13 US disclosed
US-20170152211-A1 INTEGRATED PROCESS FOR NITRILE MANUFACTURE WITH ENHANCED LIQUID-LIQUID EXTRACTION INVISTA NORTH AMERICA S.A R.L. (US) 2017-06-01 US disclosed
US-20170152211-A1 INTEGRATED PROCESS FOR NITRILE MANUFACTURE WITH ENHANCED LIQUID-LIQUID EXTRACTION INVISTA NORTH AMERICA S.A R.L. (US) 2017-06-01 US disclosed
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-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-7550407-B2 System suitable for the hydrocyanation of olefinically unsaturated compounds BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-7550407-B2 System suitable for the hydrocyanation of olefinically unsaturated compounds BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 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-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
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-1610893-B1 SYSTEM SUITABLE FOR THE HYDROCYANATION OF OLEFINICALLY UNSATURATED COMPOUNDS BASF AG (DE) 2007-03-07 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 (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-20170197909-A1 ENHANCED EXTRACTION OF IMPURITIES FROM MIXTURE COMPRISING NITRILES NCL, BMP4, ALPL TDP1 941/4885ATM 1687/4885MAPT 3372/4885
US-10035756-B2 Integrated process for nitrile manufacture with enhanced liquid-liquid extraction BHMT, HNMT, PNMT TDP1 1512/4885ATM 986/4885MAPT 910/4885
US-20170152211-A1 INTEGRATED PROCESS FOR NITRILE MANUFACTURE WITH ENHANCED LIQUID-LIQUID EXTRACTION BHMT, HNMT, ALKBH3 TDP1 1671/4885ATM 928/4885MAPT 997/4885

“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.