SCHEMBL20201235

SCHEMBL20201235

CC(C)(C)Oc1ccc(-n2cccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
VHL P40337 1/20 0.41
ELOC Q15369 1/20 0.41
ELOB Q15370 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 2/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL10377379 0.82 KMT2A (0.49) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL11752009 0.80 VHL (0.47) KDM4EGAANPSR1L3MBTL1VHL
SCHEMBL1229914 0.79 SCN5A (0.45) KDM4EGAANPSR1L3MBTL1VHL
SCHEMBL26746 0.76 SLC6A2 (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12933628 0.76 CYP3A4 (0.58) NPSR1L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL2092151 0.76 MAPT (0.60) KDM4EGAANPSR1L3MBTL1ALDH1A1
SCHEMBL11600811 0.73 PPARA (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11755203 0.72 ALDH1A1 (0.42) KDM4EVHLELOCELOBALDH1A1
SCHEMBL20201255 0.72 NOTUM (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2092147 0.71 KDM4E (0.45) KDM4EGAANPSR1L3MBTL1VHL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 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 (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-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 KDM4E 766/4885GAA 3934/4885NPSR1 761/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 KDM4E 766/4885GAA 3934/4885NPSR1 761/4885

“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.