SCHEMBL25336588

SCHEMBL25336588

CCCCCCCC(CC=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.45
▸ ASAH2 Q9NR71 1/20 0.43
▸ KCNH2 Q12809 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL25337211 0.84 NPSR1 (0.45) MAPTALDH1A1MEN1GAAKMT2A
SCHEMBL19184526 0.84 NR1I2 (0.57) NR1I2ASAH2KCNH2MAPTALDH1A1
SCHEMBL25335071 0.81 NR1I2 (0.47) NR1I2SMN1; SMN2MGLLHDAC3HDAC1
SCHEMBL28231242 0.81 NR1I2 (0.47) NR1I2ALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL25334695 0.81 NR1I2 (0.47) NR1I2L3MBTL1TSHR
SCHEMBL25334283 0.80 NR1I2 (0.46) NR1I2KCNH2SMN1; SMN2
SCHEMBL25334792 0.80 NR1I2 (0.46) NR1I2GAA
SCHEMBL25335641 0.79 NR1I2 (0.44) NR1I2ALDH1A1TDP1
SCHEMBL8667678 0.79 MAPT (0.47) NR1I2ASAH2KCNH2MAPTALDH1A1
SCHEMBL17294442 0.79 CYP19A1 (0.51) ASAH2KCNH2MAPTALDH1A1MEN1

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 3311/4885ASAH2 4200/4885KCNH2 186/4885

“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.

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