SCHEMBL21176236

SCHEMBL21176236

CCC(C)NC(=O)C(=O)C(C)N(C=O)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL19975472 1.00 MAPK1 (0.40) MAPK1ALDH1A1LMNAESR1KMT2A
SCHEMBL21183534 1.00 MAPK1 (0.40) MAPK1ALDH1A1LMNAESR1KMT2A
SCHEMBL21183522 0.89 L3MBTL1 (0.46) MAPK1ALDH1A1LMNAESR1KMT2A
SCHEMBL19974888 0.87 L3MBTL1 (0.36) MAPK1ALDH1A1LMNAESR1KMT2A
SCHEMBL19975449 0.87 L3MBTL1 (0.36) MAPK1ALDH1A1LMNAESR1KMT2A
SCHEMBL19974891 0.87 L3MBTL1 (0.36) MAPK1ALDH1A1LMNAESR1KMT2A
SCHEMBL19975358 0.84 POLB (0.45) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL19975357 0.84 POLB (0.45) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL19975096 0.83 HPGD (0.47) MAPK1ALDH1A1ESR1KMT2AMEN1
SCHEMBL19975494 0.83 CYP1A2 (0.44) ALDH1A1

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 3 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-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 MAPK1 3870/4885ALDH1A1 2271/4885LMNA 1909/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C MAPK1 4083/4885ALDH1A1 2673/4885LMNA 2058/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C MAPK1 3870/4885ALDH1A1 2271/4885LMNA 1909/4885

“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.