SCHEMBL13991185

SCHEMBL13991185

CCCSc1cc(C)c(C)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MCL1 Q07820 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ HTT P42858 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 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
SCHEMBL215086 0.77 HSD17B10 (0.48) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL2736485 0.75 KDM4E (0.47) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL17271403 0.69 ATAD2 (0.44) GAAMCL1HTTALDH1A1LMNA
SCHEMBL9589819 0.67 KDM4E (0.50) KDM4EHPGDHSD17B10GAAPDE5A
SCHEMBL15478582 0.67 HSD17B10 (0.56) KDM4EHPGDHSD17B10GAAALDH1A1
SCHEMBL16279674 0.66 PTGS2 (0.39) KDM4EHPGDCYP1A2ALDH1A1MAPT
SCHEMBL601768 0.64 PTGS2 (0.35) KDM4EGAAMCL1HTTPDE5A
SCHEMBL13129669 0.63 PTGS2 (0.37) KDM4EHPGDHSD17B10CYP1A2PDE5A
SCHEMBL10929464 0.63 ESR1 (0.38) KDM4EHPGDCYP1A2ALDH1A1PTGS2
SCHEMBL10909753 0.62 PTGS2 (0.37) KDM4EHPGDALDH1A1MAPTKMT2A

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-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 — — 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-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 KDM4E 3245/4885HPGD 724/4885HSD17B10 3418/4885

“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.

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