SCHEMBL25335641

SCHEMBL25335641

CCCCCCCC(CC=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
NAAA Q02083 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
HTR2A P28223 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ASAH1 Q13510 2/20 0.39
CSNK1E P49674 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ACER2 Q5QJU3 1/20 0.38
CERT1 Q9Y5P4 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL10629722 1.00 NR1I2 (0.44) NR1I2NAAACYSLTR2CYSLTR1HTR2A
SCHEMBL27260000 1.00 NR1I2 (0.44) NR1I2NAAACYSLTR2CYSLTR1HTR2A
SCHEMBL6144452 0.98 NR1I2 (0.42) NR1I2NAAACYSLTR2CYSLTR1HTR2A
SCHEMBL4994413 0.93 POLB (0.43) NR1I2NAAACYSLTR2CYSLTR1ALDH1A1
SCHEMBL1546516 0.86 AOC3 (0.40) HTR2ATDP1
SCHEMBL6602183 0.85 NR1I2 (0.43) NR1I2NAAACYSLTR2CYSLTR1HTR2A
SCHEMBL28231242 0.85 NR1I2 (0.47) NR1I2ALDH1A1
SCHEMBL25335071 0.85 NR1I2 (0.47) NR1I2
SCHEMBL25334695 0.85 NR1I2 (0.47) NR1I2
SCHEMBL25334283 0.84 NR1I2 (0.46) NR1I2

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 3311/4885NAAA 4335/4885CYSLTR2 3632/4885

“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.