SCHEMBL13199356

SCHEMBL13199356

Cc1cc(C)c(OP(c2ccccc2)c2ccccc2)c(-c2cc(C)cc(C)c2OP(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
PSMB5 P28074 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HTR2A P28223 2/20 0.30
HTR7 P34969 2/20 0.30
HTR1A P08908 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR6 P50406 1/20 0.30
LMNA P02545 2/20 0.30
TSHR P16473 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
SCHEMBL2693261 0.91 CYP1A2 (0.36) NPSR1CYP1A2CYP2A6PSMB5FFAR4
SCHEMBL13627016 0.89 NPSR1 (0.31) NPSR1
SCHEMBL13325298 0.87 MAPT (0.31) MAPTL3MBTL1
SCHEMBL13627014 0.85 NPSR1 (0.33) NPSR1
SCHEMBL13593516 0.82 MAPT (0.30) MAPTL3MBTL1
SCHEMBL14264168 0.80 ALDH1A1 (0.35) NPSR1CYP1A2CYP2A6FFAR4TSHR
SCHEMBL13627027 0.78 NPC1 (0.32) MAPTLMNATSHR
SCHEMBL3418221 0.77 CYP1A2 (0.38) NPSR1CYP1A2CYP2A6PSMB5FFAR4
SCHEMBL2777218 0.75 SCN4A (0.38) CYP1A2CYP2A6L3MBTL1KMT2ASLC6A4
SCHEMBL7884180 0.74 ALDH1A1 (0.38) CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7709675-B2 Continuous method for the production of linear pentene nitriles BASF SE (DE) 2010-05-04 US disclosed
US-7709675-B2 Continuous method for the production of linear pentene nitriles BASF SE (DE) 2010-05-04 US disclosed
US-20080242886-A1 Continuous Method for the Production of Linear Pentene Nitriles BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 US disclosed
US-20080242886-A1 Continuous Method for the Production of Linear Pentene Nitriles BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 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

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-20080242886-A1 Continuous Method for the Production of Linear Pentene Nitriles CYC1, HVCN1, HMOX1 NPSR1 1909/4885CYP1A2 146/4885CYP2A6 486/4885

“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.