SCHEMBL30143380

SCHEMBL30143380

CC(C)(C)c1cncc(B(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.36
MGLL Q99685 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL31664613 1.00 TRPV1 (0.36) TRPV1MGLLGABRA1GABRB2ALDH1A1
SCHEMBL2560130 0.86 CYP11B2 (0.39)
SCHEMBL27314813 0.84 MGLL (0.40) MGLL
SCHEMBL15434739 0.84 MGLL (0.40) MGLL
SCHEMBL13728112 0.81 CYP11B2 (0.36) MGLL
SCHEMBL14821845 0.80 CYP11B2 (0.42) MGLL
SCHEMBL27266 0.79 MGLL (0.52) MGLLALDH1A1
Hydrochloric Acid SCHEMBL1939687 0.78 MGLL (0.50) MGLLALDH1A1
SCHEMBL29953705 0.78 MGLL (0.41) MGLL
SCHEMBL18697962 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12635401-B2 Metal complexes UDC Ireland (IE) 2026-05-19 US disclosed
EP-4069709-B1 METAL COMPLEXES UDC IRELAND LTD (IE) 2025-04-23 EP disclosed
US-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 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-12635401-B2 Metal complexes SCO2, SOD1, NR4A1 TRPV1 3428/4885MGLL 4495/4885GABRA1 1347/4885
US-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 TRPV1 1844/4885MGLL 3060/4885GABRA1 2239/4885

“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.