SCHEMBL26885356

SCHEMBL26885356

CC(C)NC(=O)c1cccc2cccc(C(=O)O)c12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.53
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ NR4A2 P43354 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ALOX5 P09917 1/20 0.41

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
SCHEMBL26887046 0.85 KDM4E (0.46) HSD17B10MAOAMAOBKDM4EMAPT
SCHEMBL26885058 0.85 MAOA (0.43) HSD17B10MAOAMAOBKDM4EHTT
SCHEMBL26887082 0.85 CDC25B (0.43) HSD17B10MAOAMAOBKDM4EHTT
SCHEMBL26885157 0.83 KDM4E (0.49) HSD17B10MAOAMAOBKDM4EMAPT
SCHEMBL26885054 0.83 MAOA (0.46) MAOAMAOBKDM4EHTTALDH1A1
SCHEMBL6783520 0.81 HSD17B10 (0.58) HSD17B10KDM4EMAPTTDP1MEN1
SCHEMBL550463 0.80 ALDH1A1 (0.56) HSD17B10KDM4EHTTMEN1KMT2A
SCHEMBL29404347 0.80 HSD17B10 (0.78) HSD17B10KDM4EMAPTTDP1MEN1
SCHEMBL7624693 0.80 HSD17B10 (0.78) HSD17B10KDM4EMAPTTDP1MEN1
Benzene SCHEMBL28110156 0.80 HSD17B10 (0.78) HSD17B10KDM4EMAPTTDP1MEN1

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 2 patents. 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
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 HSD17B10 1093/4885MAOA 1181/4885MAOB 773/4885

“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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