SCHEMBL31433016

SCHEMBL31433016

COc1cc(CNC(=O)OC(C)(C)C)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.50
MAPK10 P53779 1/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LDHA P00338 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44

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
SCHEMBL18560633 0.92 MEN1 (0.49) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL31349283 0.85 MEN1 (0.56) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL15700313 0.84 HDAC1 (0.44) GAATDP1CYP3A4
SCHEMBL13055397 0.84 KDM4A (0.51) MEN1KMT2ATSHRKDM4ELMNA
SCHEMBL31433014 0.83 TSHR (0.43) TSHRMAPK10ALDH1A1
SCHEMBL12404581 0.81 MEN1 (0.52) MEN1KMT2ATSHRMAPK10KDM4E
SCHEMBL12434227 0.81 KCNA5 (0.61) KMT2AKDM4EALDH1A1
SCHEMBL2574214 0.81 CYP1A2 (0.56) MEN1KMT2ATSHRALDH1A1ALOX15
SCHEMBL15940941 0.80 CTSL (0.54) ALDH1A1LMNATDP1
SCHEMBL18415450 0.80 MEN1 (0.58) MEN1KMT2ATSHRMAPK10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2025-04-24 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 (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-20250129016-A1 PHOTOREDOX METHODS FOR RADIOCYANATION OF ARENES AND USE THEREOF RCC2, PPOX, FTO MEN1 92/4885KMT2A 2022/4885TSHR 1853/4885

“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.