SCHEMBL7079299

SCHEMBL7079299

Cc1ccc(C(C)C)c(OC2=C(O)CC(CCc3ccc(O)cc3)(C(C)C)OC2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
MAPT P10636 5/20 0.34
KMT2A Q03164 4/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
PTBP1 P26599 1/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOD2 Q9HC29 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSP90AA1 P07900 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7079294 0.86 KMT2A (0.38) MAPTKMT2AMAPK1ALDH1A1ATM
SCHEMBL7437542 0.80 ALDH1A1 (0.39) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL7440835 0.79 MAPT (0.41) KDM4EMAPTKMT2AMAPK1ALDH1A1
SCHEMBL6295654 0.71 ESRRG (0.33) LMNASMN1; SMN2
SCHEMBL6301600 0.69 KDM4E (0.34) KDM4EKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL6301391 0.67 KDM4E (0.33) KDM4EKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL7077924 0.67 LDHA (0.34) KMT2AMEN1NPC1
SCHEMBL6296615 0.67 TAAR1 (0.38) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8342091 0.67 LMNA (0.35) KDM4EMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6296613 0.67 TAAR1 (0.38) KDM4EMAPTALDH1A1LMNASMN1; 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-20030171425-A1 HIV protease inhibitors BOYER FREDERICK EARL (US) 2003-09-11 US claimed

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-20030171425-A1 HIV protease inhibitors DNPEP, PRSS1, PREP KDM4E 1481/4885MAPT 1165/4885KMT2A 2806/4885

“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.