SCHEMBL7079294

SCHEMBL7079294

Cc1ccc(C(C)C)c(OC2=C(O)CC(CCc3ccccc3O)(C(C)C)OC2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.34
MAOA P21397 1/20 0.34
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LPAR1 Q92633 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7079299 0.86 KDM4E (0.35) KMT2AMEN1MAPTNPC1NPSR1
SCHEMBL7437542 0.76 ALDH1A1 (0.39) KMT2AMEN1MAPTNPC1TSHR
SCHEMBL7440835 0.75 MAPT (0.41) KMT2AMEN1MAPTNPC1TSHR
SCHEMBL7077924 0.63 LDHA (0.34) KMT2AMEN1NPC1L3MBTL1
SCHEMBL11043528 0.61 LMNA (0.54) MAOATSHRNPSR1ALDH1A1LMNA
SCHEMBL29640497 0.61 LMNA (0.54) MAOATSHRNPSR1ALDH1A1LMNA
SCHEMBL6302764 0.61 OPRM1 (0.35) KMT2AMEN1NPSR1ALDH1A1
SCHEMBL11797170 0.58 LMNA (0.56) KMT2AMEN1TSHRNPSR1ALDH1A1
SCHEMBL21095165 0.58 LMNA (0.56) KMT2AMEN1MAPTTSHRNPSR1
SCHEMBL31545975 0.58 LMNA (0.56) KMT2AMEN1MAPTTSHRNPSR1

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 KMT2A 2806/4885MEN1 3735/4885GPR55 4332/4885

“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.