SCHEMBL2531336

SCHEMBL2531336

COC(=O)c1cc(C)c(C(=O)OC)c(C(=O)OC)c1C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
ACHE P22303 1/20 0.53
HPGD P15428 1/20 0.50
POLB P06746 3/20 0.45
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 2/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL8663545 0.90 CYP3A4 (0.49) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL12554705 0.82 CYP3A4 (0.52) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL2430255 0.80 KDM4E (0.50) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL232535 0.80 MAPT (0.48) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL5306878 0.79 CYP3A4 (0.69) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL15766375 0.79 CYP3A4 (0.49) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL14212717 0.78 POLB (0.53) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL844149 0.77 CYP3A4 (0.49) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL1036031 0.76 CYP3A4 (0.59) CYP3A4ACHEHPGDPOLBMAPT
SCHEMBL3207481 0.76 MAPT (0.47) CYP3A4ACHEHPGDMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257361-A1 ALKYL BENZENE TETRACARBOXYLIC DIANHYDRIDE, MANUFACTURING METHOD THEREOF, POLYIMIDE, AND APPLICATION THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-20 US disclosed
US-20110257361-A1 ALKYL BENZENE TETRACARBOXYLIC DIANHYDRIDE, MANUFACTURING METHOD THEREOF, POLYIMIDE, AND APPLICATION THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-20 US disclosed
JP-2001019662-A PRODUCTION OF 1,2,3,4-BENZENETETRACARBOXYLIC ACID DERIVATIVE NISSAN CHEM IND LTD 2001-01-23 JP 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-20110257361-A1 ALKYL BENZENE TETRACARBOXYLIC DIANHYDRIDE, MANUFACTURING METHOD THEREOF, POLYIMIDE, AND APPLICATION THEREOF PBRM1, PUF60, ALKBH1 CYP3A4 946/4885ACHE 4818/4885HPGD 2153/4885

“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.