SCHEMBL18067916

SCHEMBL18067916

CCOc1ccc(CC)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 8/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LOX P28300 1/20 0.32
LTA4H P09960 2/20 0.32
MAPK1 P28482 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 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
SCHEMBL8562919 0.83 NQO1 (0.48) NQO1POLBALDH1A1KMT2AMEN1
SCHEMBL10565399 0.83 NQO1 (0.36) NQO1ALDH1A1KMT2AMAPTNPC1
SCHEMBL18067921 0.83 LTA4H (0.36) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL20270053 0.79 ALDH1A1 (0.33) POLBALDH1A1MAPTHPGDNPC1
SCHEMBL5521138 0.79
SCHEMBL18067942 0.78 ALDH1A1 (0.33) ALDH1A1HPGDLTA4H
SCHEMBL16434744 0.78 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL826487 0.74
SCHEMBL45854 0.74
SCHEMBL18067918 0.74 LOX (0.33) ALDH1A1KMT2AMAPTHPGDLOX

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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-15 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-20160263083-A1 ANTIBACTERIAL AGENTS: ARYL MYXOPYRONIN DERIVATIVES POLRMT, POLR1C, FBL NQO1 349/4885POLB 20/4885ALDH1A1 1785/4885

“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.