SCHEMBL10072581

SCHEMBL10072581

COC(=O)c1cc(C)c2c(c1)C(=O)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 2/20 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
SCHEMBL9423416 0.81 EGFR (0.50) PDK2LMNAL3MBTL1CASP3TSHR
SCHEMBL9462263 0.81 TTR (0.58) CA12CA1CA7KDM4ETDP1
SCHEMBL10832764 0.80 CA1 (0.58) PDK2CA12CA1CA2CA7
SCHEMBL7383445 0.78 CYP3A4 (0.42) CA12CA1CA2CA7CA9
SCHEMBL26115802 0.76 TTR (0.61) PDK2PPARACASP3TSHRTTR
SCHEMBL1712387 0.76 TTR (0.61) PDK2PPARACASP3TSHRALDH1A1
SCHEMBL31634622 0.76 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1535306 0.76 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL2605591 0.73 CA1 (0.60) CA12CA1CA2CA7CA9
SCHEMBL8976488 0.73 CYP3A4 (0.45) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029164-A1 ESTER GROUP-CONTAINING TETRACARBOXYLIC ACID DIANHYDRIDE, POLYESTER POLYIMIDE PRECURSOR, POLYESTERIMIDE, AND METHODS FOR PRODUCING SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-02-02 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-20120029164-A1 ESTER GROUP-CONTAINING TETRACARBOXYLIC ACID DIANHYDRIDE, POLYESTER POLYIMIDE PRECURSOR, POLYESTERIMIDE, AND METHODS FOR PRODUCING SAME ALK, ALKBH3, IGLV6-57 PDK2 2822/4885CA12 260/4885CA1 196/4885

“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.