SCHEMBL3146089

SCHEMBL3146089

COC(=O)COc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.48
LMNA P02545 1/20 0.45
HMGCR P04035 2/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL16904222 0.88 PDK2 (0.43) PDK2LMNAHMGCRPTGS2MAPT
SCHEMBL5077496 0.84 PDK2 (0.41) PDK2LMNAHMGCRPTGS2MAPT
SCHEMBL16097466 0.81 LMNA (0.47) PDK2LMNAPTGS2MAPTALDH1A1
SCHEMBL3927973 0.81 GAA (0.53) LMNAPTGS2MAPK1ALDH1A1KDM4E
SCHEMBL21224752 0.81 GAA (0.46) PDK2LMNAPTGS2MAPK1KDM4E
SCHEMBL9205800 0.79 HSP90AB1 (0.50) LMNAHMGCRPTGS2MAPTALDH1A1
SCHEMBL3138757 0.79 ALOX15 (0.50) LMNATSHRALDH1A1HSD17B10
SCHEMBL20424197 0.79 LMNA (0.62) LMNAPTGS2MAPTTSHRMAPK1
SCHEMBL13116437 0.79 LMNA (0.57) PDK2LMNAPTGS2MAPTTSHR
SCHEMBL23927461 0.78 SMN1; SMN2 (0.54) LMNAPTGS2MAPTALDH1A1KDM4E

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR PDK2 2832/4885LMNA 3371/4885HMGCR 749/4885

“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.