SCHEMBL21176264

SCHEMBL21176264

COc1ccccc1N(C=O)C(C)C(O)C(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.37
LPAR1 Q92633 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL19975376 0.86 L3MBTL1 (0.40) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL30062960 0.84 POLB (0.49) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL19974770 0.84 POLB (0.49) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL19974773 0.84 POLB (0.49) ALDH1A1CYP1A2CYP3A4MEN1KMT2A
SCHEMBL19975312 0.84 LMNA (0.35) HPGDCYP1A2CYP3A4CYP2D6MEN1
SCHEMBL19974842 0.82 KMT2A (0.43) HPGDALDH1A1KDM4ECYP1A2KMT2A
SCHEMBL21176210 0.81 HPGD (0.43) HPGDALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL19975415 0.80 HPGD (0.42) HPGDALDH1A1LMNA
SCHEMBL19974976 0.79 TSHR (0.40) HPGDALDH1A1CYP1A2CYP3A4MEN1
SCHEMBL19975543 0.77 HPGD (0.49) HPGDALDH1A1MEN1KMT2ALMNA

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 HPGD 1205/4885ALDH1A1 2271/4885KDM4E 3330/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C HPGD 1156/4885ALDH1A1 2673/4885KDM4E 3784/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C HPGD 1205/4885ALDH1A1 2271/4885KDM4E 3330/4885

“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.