SCHEMBL26890239

SCHEMBL26890239

CC(C)NC(=O)c1cccc2c(O)cc(C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ XDH P47989 3/20 0.41
▸ IP6K1 Q92551 1/20 0.40
▸ IP6K3 Q96PC2 1/20 0.40
▸ IP6K2 Q9UHH9 1/20 0.40
▸ ERN1 O75460 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CDC25B P30305 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
SCHEMBL26886688 0.88 FTO (0.47) ALOX5ALDH1A1LMNAKDM4EHPGD
SCHEMBL26885067 0.83 ALOX5 (0.47) ALOX5ALDH1A1LMNAKDM4EHPGD
SCHEMBL26885161 0.81 LMNA (0.49) ALOX5ALDH1A1LMNAKDM4EHPGD
SCHEMBL26886689 0.80 MEN1 (0.47) ALOX5ALDH1A1LMNAKDM4EHPGD
SCHEMBL26887047 0.79 PLA2G2D (0.56) ALDH1A1LMNAHPGDHSD17B10XDH
SCHEMBL26886013 0.78 PRMT1 (0.43) ALOX5ALDH1A1LMNAKDM4EHPGD
SCHEMBL26885158 0.77 KMT2A (0.47) ALOX5ALDH1A1LMNANPSR1HTT
SCHEMBL26886660 0.76 PTPN1 (0.65) ALDH1A1LMNAHPGDHSD17B10XDH
SCHEMBL26885181 0.76 PRMT1 (0.54) ALOX5KDM4EXDHIP6K1IP6K3
SCHEMBL26886781 0.74 XDH (0.47) ALOX5ALDH1A1LMNAKDM4EHPGD

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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 — — 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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 ALOX5 1140/4885ALDH1A1 2115/4885LMNA 2523/4885

“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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