SCHEMBL31085152

SCHEMBL31085152

CC(=O)c1cc(Cl)c2c(c1)OC(C)(C)CO2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
AKR1B1 P15121 2/20 0.37
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NOTUM Q6P988 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC5A2 P31639 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL1191065 0.74 KDM4E (0.55) AKR1B1KDM4ENPC1RAB9AMEN1
SCHEMBL30134256 0.74 KDM4E (0.55) AKR1B1KDM4ENPC1RAB9AMEN1
SCHEMBL31085171 0.73 HDAC4 (0.44) HDAC4AKR1B1
SCHEMBL31085089 0.72 HDAC4 (0.42) HDAC4AKR1B1
SCHEMBL30133788 0.71 KDM4E (0.35) HDAC4KDM4ENPC1RAB9A
SCHEMBL23904811 0.69 PLK1 (0.46) HDAC4KDM4ERAB9AKMT2ACA5A
SCHEMBL14702612 0.69 AKR1B1 (0.39) AKR1B1NOTUM
SCHEMBL23904807 0.66 PLK1 (0.66) HDAC4KDM4ENPC1RAB9AMEN1
SCHEMBL4291175 0.66 ALDH1A1 (0.45) KDM4E
SCHEMBL17996761 0.64 HDAC4 (0.33) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125378-A2 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
EP-4658650-A1 HETEROCYCLIC COMPOUNDS Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250353846-A1 Heterocyclic Compounds BEONE MEDICINES I GMBH (CH) 2025-11-20 US disclosed
WO-2024160277-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2024-08-08 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 (2 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-20260125378-A2 Heterocyclic Compounds NFATC1, CD4, MALT1 HDAC4 132/4885AKR1B1 407/4885KDM4E 1832/4885
US-20250353846-A1 Heterocyclic Compounds NFATC1, CD4, ACIN1 HDAC4 400/4885AKR1B1 2919/4885KDM4E 2752/4885

“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.