SCHEMBL29326304

SCHEMBL29326304

O=c1[nH]c2cc(-c3ccccc3OCc3ccccc3)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.43
DHODH Q02127 2/20 0.42
PTGER1 P34995 7/20 0.41
PTGER4 P35408 5/20 0.41
PTGER3 P43115 5/20 0.41
PTGER2 P43116 5/20 0.41
HIF1A Q16665 1/20 0.40
USP30 Q70CQ3 1/20 0.40
OTUD7B Q6GQQ9 1/20 0.39
NPEPPS P55786 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FEN1 P39748 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL27377878 0.89 DHODH (0.41) MCL1DHODHPTGER1PTGER4PTGER3
SCHEMBL29326298 0.87 MCL1 (0.46) MCL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL29326224 0.83 NPEPPS (0.48) MCL1NPEPPSPKMHSD17B10FEN1
SCHEMBL29326210 0.83 ERCC5 (0.40) DHODHPTGER1PTGER4PTGER3PTGER2
SCHEMBL29326302 0.80 NPEPPS (0.43) MCL1NPEPPSPKMHSD17B10FEN1
SCHEMBL29326223 0.80 FEN1 (0.58) NPEPPSPKMHSD17B10FEN1TNKS2
SCHEMBL29326363 0.79 TNKS2 (0.50) NPEPPSFEN1TNKS2
SCHEMBL29326236 0.79 NPEPPS (0.44) NPEPPSPKMHSD17B10FEN1TNKS2
SCHEMBL29326335 0.78 NPEPPS (0.43) MCL1NPEPPSPKMHSD17B10FEN1
SCHEMBL29326311 0.78 KDM4E (0.47) NPEPPSFEN1TNKS2

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 MCL1 4265/4885DHODH 1223/4885PTGER1 2180/4885

“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.