SCHEMBL6864175

SCHEMBL6864175

COc1ccccc1C(=O)c1c([C]=O)cccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CTSD P07339 1/20 0.45
CNR2 P34972 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
STAT3 P40763 1/20 0.43
STS P08842 1/20 0.43
NPC1 O15118 3/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
RAB9A P51151 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL5911523 0.86 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL5911522 0.85 CTSD (0.49) CTSDCNR2KCNK3KCNK9STAT3
SCHEMBL2677179 0.83 CTSD (0.44) CTSDCNR2KCNK3KCNK9RXFP1
SCHEMBL9712494 0.79 MAPT (0.49) CA12CA1CA2CA7CA9
SCHEMBL2677857 0.78 CES2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2318839 0.77 CNR2 (0.46) CNR2HTT
SCHEMBL322168 0.77 CTSD (0.62) CA12CA1CA2CA7CA9
SCHEMBL29658169 0.77 CTSD (0.62) CA12CA1CA2CA7CA9
SCHEMBL28516342 0.76 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL7256990 0.76 TP53 (0.49) CTSDCNR2KCNK3KCNK9NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6800607-B2 IMPROVED PHARMACOLOGICAL ACTIVITIES, PHARMACOKINETICS AND PHYSICAL PROPERTIES; MODIFIED WITH 1-ACYL-GLYCEROL DERIVATIVE LTT BIO-PHARMA CO., LTD. (JP) 2004-10-05 US disclosed
US-20030073631-A1 Modified bdnf LTT BIO-PHARMA CO., LTD. (JP) 2003-04-17 US disclosed
US-6096741-A FUNGICIDES, TACHYKININ ANTAGONIST SHIONOGI & CO., LTD. (JP) 2000-08-01 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-20030073631-A1 Modified bdnf BDNF, NTRK2, NGF CA12 3852/4885CA1 4271/4885CA2 4319/4885

“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.