SCHEMBL25334303

SCHEMBL25334303

CCCCCCCC(CC=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.43
GAA P10253 1/20 0.37
HSD17B3 P37058 5/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
THRA P10827 5/20 0.35
THRB P10828 5/20 0.35
KMT2A Q03164 2/20 0.35
BDKRB2 P30411 1/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL25335376 0.89 TP53 (0.47) NR1I2KMT2AMEN1
SCHEMBL16168059 0.88 NR1I2 (0.49) NR1I2GAAHSD17B3HDAC8HDAC6
SCHEMBL13367231 0.88 NR1I2 (0.49) NR1I2GAAHSD17B3HDAC8HDAC6
SCHEMBL12337676 0.85 NR1I2 (0.57) NR1I2GAAHSD17B3HDAC8HDAC6
SCHEMBL12172229 0.85 NR1I2 (0.47) NR1I2GAAHSD17B3HDAC8HDAC6
SCHEMBL18800441 0.85 NR1I2 (0.47) NR1I2GAAHSD17B3HDAC8HDAC6
SCHEMBL25334516 0.85 MGLL (0.46) NR1I2
SCHEMBL25335071 0.82 NR1I2 (0.47) NR1I2
SCHEMBL28231242 0.82 NR1I2 (0.47) NR1I2L3MBTL1
SCHEMBL25334695 0.82 NR1I2 (0.47) NR1I2L3MBTL1

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-20260001830-A1 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS SCRIPPS RESEARCH INST (US) 2026-01-01 US disclosed
EP-4472942-A2 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS The Scripps Research Institute (US) 2024-12-11 EP disclosed
WO-2023147545-A9 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-08-29 WO disclosed
WO-2023147545-A2 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-08-03 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-20260001830-A1 PROCESS FOR PD(II)-CATALYZED SITE-SELECTIVE BETA- AND GAMMA-C(SP3)-H ARYLATION OF PRIMARY ALDEHYDES CONTROLLED BY TRANSIENT DIRECTING GROUPS PDCD1LG2, PDCD1, CD274 NR1I2 3311/4885GAA 2547/4885HSD17B3 666/4885

“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.