SCHEMBL24915853

SCHEMBL24915853

COc1cc(C(=O)O)c2nccc(C(C)C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
RPS6KB1 P23443 4/20 0.42
AURKA O14965 3/20 0.42
KDM4E B2RXH2 4/20 0.41
POLB P06746 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
MAPK1 P28482 2/20 0.39
CDC25B P30305 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL24915860 0.88 RPS6KB1 (0.52) LMNARPS6KB1AURKAKDM4E
SCHEMBL24915857 0.86 LMNA (0.39) LMNARPS6KB1AURKAKDM4EMAPK1
SCHEMBL24915856 0.86 JAK2 (0.42) LMNARPS6KB1AURKAKDM4EPOLB
SCHEMBL24915854 0.86 MTNR1A (0.43) LMNARPS6KB1AURKAKDM4EALDH1A1
SCHEMBL24916220 0.85 DPP4 (0.45) LMNAKDM4EALDH1A1HPGDTDP1
SCHEMBL24915862 0.82 HPGD (0.46) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL24916221 0.82 ACE2 (0.42) LMNAKDM4EPOLBALDH1A1TDP1
SCHEMBL24916430 0.81 NSD2 (0.39) LMNAKDM4EP2RX3P2RX2
SCHEMBL24915645 0.79 NSD2 (0.44) P2RX3P2RX2
SCHEMBL24916219 0.79 PDE10A (0.41) KDM4EALDH1A1HPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 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-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 LMNA 3551/4885RPS6KB1 683/4885AURKA 918/4885

“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.