SCHEMBL20101950

SCHEMBL20101950

COC(=O)c1occc(=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL14129603 0.80 SMN1; SMN2 (0.43) KDM4ELMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL43076 0.79 KDM4E (0.53) KDM4ELMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL14640707 0.79 KDM4E (0.45) KDM4ELMNAALDH1A1TDP1MAPT
SCHEMBL26301295 0.77 SMN1; SMN2 (0.39) KDM4ELMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL69723 0.75 HSD17B10 (0.44) KDM4ELMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL2301583 0.74 MAPT (0.40) KDM4ELMNAALDH1A1TSHRMAPT
SCHEMBL2417181 0.73 CHRNB2 (0.41) KDM4EALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL189803 0.73 ALDH1A1 (0.46) KDM4EALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL22068300 0.73 CHRNA4 (0.48) KDM4ELMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL31310778 0.73 HSD17B10 (0.43) KDM4ELMNAALDH1A1TSHRSMN1; SMN2

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-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF SHIONOGI & CO., LTD. (JP) 2018-05-03 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-20180118760-A1 SUBSTITUTED POLYCYCLIC PYRIDONE DERIVATIVES AND PRODRUGS THEREOF C3AR1, NR4A1, HAVCR2 KDM4E 1325/4885LMNA 1318/4885ALDH1A1 1319/4885

“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.