SCHEMBL29326420

SCHEMBL29326420

COc1cccc(C)c1-c1ccc2c(=O)n(-c3cccc4ccccc34)c(=O)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TNKS2 Q9H2K2 2/20 0.43
NPEPPS P55786 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GRIA1 P42261 2/20 0.39
CACNG8 Q8WXS5 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BCAT2 O15382 1/20 0.38
BCAT1 P54687 1/20 0.38
MEN1 O00255 1/20 0.37
ALOX12 P18054 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
SCHEMBL29326225 0.91 NPEPPS (0.48) HSD17B10PKMKDM4ETNKS2NPEPPS
SCHEMBL27378372 0.90 HSD17B10 (0.45) HSD17B10PKMHPGDKDM4EALDH1A1
SCHEMBL29326321 0.89 HSD17B10 (0.47) HSD17B10PKMHPGDKDM4EALDH1A1
SCHEMBL29326306 0.89 GRIA1 (0.53) HSD17B10PKMHPGDKDM4EALDH1A1
SCHEMBL29326360 0.88 HSD17B10 (0.45) HSD17B10PKMHPGDKDM4EALDH1A1
SCHEMBL29326358 0.87 HSD17B10 (0.45) HSD17B10PKMHPGDKDM4EALDH1A1
SCHEMBL29326440 0.85 NPEPPS (0.43) HSD17B10PKMKDM4ETNKS2NPEPPS
SCHEMBL29326439 0.83 NPEPPS (0.41) HSD17B10PKMHPGDKDM4EALDH1A1
SCHEMBL29326236 0.83 NPEPPS (0.44) HSD17B10PKMKDM4ETNKS2NPEPPS
SCHEMBL29326756 0.81 HSD17B10 (0.58) HSD17B10PKMHPGDKDM4EALDH1A1

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE HSD17B10 433/4885PKM 2848/4885HPGD 2198/4885

“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.