SCHEMBL21792121

SCHEMBL21792121

CC(C)c1c[nH]c(CO)c1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.31
PKM P14618 1/20 0.31
HTR1D P28221 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL891278 0.80 HTR1D (0.32) HTR1D
SCHEMBL24175339 0.74 MCL1 (0.32)
SCHEMBL21534044 0.72 DAO (0.40) HTR1D
SCHEMBL13187463 0.70
SCHEMBL891353 0.69
SCHEMBL2621617 0.67 DAO (0.33) HTR1D
SCHEMBL23467393 0.66
SCHEMBL28476866 0.65
SCHEMBL29123441 0.65
SCHEMBL7625009 0.65 GABRA1 (0.34) PDPK1PKMHTR1DGABRA1KDM4E

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-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO 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-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT PDPK1 1673/4885PKM 1626/4885HTR1D 4314/4885

“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.