SCHEMBL21176381

SCHEMBL21176381

COc1ccccc1OC(C)C(=O)C(=O)NC(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.54
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALDH1A1 P00352 7/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
POLB P06746 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 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
SCHEMBL4651818 0.76 KMT2A (1.00) KMT2AMTNR1AMTNR1BALDH1A1HPGD
SCHEMBL14783846 0.76 KMT2A (0.73) KMT2AMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL19974950 0.74 KMT2A (0.51) KMT2AL3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL5783645 0.72 KMT2A (0.67) KMT2AMTNR1AMTNR1BKDM4EMEN1
SCHEMBL21183572 0.72 CTSD (0.49) KMT2AL3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL18893131 0.71 L3MBTL1 (0.74) L3MBTL1ALDH1A1HPGDNPC1RAB9A
SCHEMBL5207376 0.71 KMT2A (0.65) KMT2AL3MBTL1MTNR1AMTNR1BALDH1A1
SCHEMBL21183522 0.71 L3MBTL1 (0.46) KMT2AL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL24934235 0.70 HSD17B10 (0.67) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL13761306 0.69 CA12 (0.57) KMT2AL3MBTL1ALDH1A1HPGDKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885L3MBTL1 1238/4885MTNR1A 734/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C KMT2A 4177/4885L3MBTL1 1885/4885MTNR1A 1185/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C KMT2A 4031/4885L3MBTL1 1238/4885MTNR1A 734/4885

“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.