SCHEMBL31433014

SCHEMBL31433014

COc1cc(CNC(=O)OC(C)(C)C)cc(OC)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPK10 P53779 2/20 0.43
KDM4A O75164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NSD2 O96028 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GLS O94925 1/20 0.39
DYRK1A Q13627 1/20 0.39
DRD2 P14416 1/20 0.38
NAMPT P43490 1/20 0.38
CTSS P25774 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 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
SCHEMBL30739044 0.91 CACNA1H (0.46) TSHRMAPK10KDM4AALDH1A1NSD2
SCHEMBL22828999 0.83 ALDH1A1 (0.48) TSHRMAPK10ALDH1A1NSD2L3MBTL1
SCHEMBL31433016 0.83 MEN1 (0.50) TSHRMAPK10ALDH1A1
SCHEMBL2798794 0.82 KDM4A (0.43) KDM4ANSD2L3MBTL1GLSNAMPT
SCHEMBL22828610 0.81 DYRK1A (0.44) TSHRMAPK10ALDH1A1NSD2L3MBTL1
SCHEMBL13055397 0.79 KDM4A (0.51) TSHRKDM4AL3MBTL1GLSNAMPT
SCHEMBL26075754 0.78 CACNA1H (0.49) NSD2
SCHEMBL2574214 0.77 CYP1A2 (0.56) TSHRALDH1A1
SCHEMBL30545886 0.76 CACNA1H (0.44) ALDH1A1DRD2CTSSCTSK
SCHEMBL26076675 0.76 CACNA1H (0.44) ALDH1A1DRD2CTSSCTSK

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 TSHR 1853/4885MAPK10 3319/4885KDM4A 250/4885

“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.