SCHEMBL17138164

SCHEMBL17138164

C=CCCC(=O)Oc1cccc(OC(=O)CCC=C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
ACHE P22303 2/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
GLS O94925 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL11793851 0.90 LMNA (0.56) KMT2AMEN1ACHELMNAHPGD
SCHEMBL7970809 0.89 HPGD (0.45) KMT2AMEN1ACHEGLSHPGD
SCHEMBL11800597 0.89 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL27471100 0.88 EPHX1 (0.44)
SCHEMBL114036 0.87 PRSS1 (0.46) KMT2AMEN1EGFRERBB2LMNA
SCHEMBL9797764 0.85 LMNA (0.47) LMNAALDH1A1MAPTRAB9ACYP3A4
SCHEMBL12973060 0.79 ALDH1A1 (0.49) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL27555168 0.79 CCNC (0.45) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL11720989 0.79 MAOB (0.39) ACHEEGFRERBB2GLSHPGD
SCHEMBL11401959 0.78 PTGS1 (0.42) KMT2AMEN1ACHELMNAHPGD

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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF RNS CO.,LTD. (KR) 2015-10-08 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-20150283051-A1 DERIVATIVE OF NOVEL POLYHYDROXY AROMATIC COMPOUND AND USE THEREOF HRH3, CBR3, H1-0 KMT2A 580/4885MEN1 4684/4885ACHE 2498/4885

“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.