SCHEMBL3137537

SCHEMBL3137537

Cc1ccc2cc(Oc3c(Br)cc(OCC(=O)O)cc3Br)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.44
THRA P10827 6/20 0.43
THRB P10828 6/20 0.43
PDE2A O00408 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MIF P14174 3/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL3138766 0.86 PDE2A (0.43) PTPN7THRATHRBPDE2APDE3B
SCHEMBL3142092 0.85 KDM4E (0.46) THRATHRBKDM4EHTTKMT2A
SCHEMBL3137369 0.83 THRA (0.56) THRATHRB
SCHEMBL3146203 0.81 THRA (0.58) THRATHRBKDM4EKMT2AMEN1
SCHEMBL5074426 0.80 CYP1A2 (0.44) THRATHRBKDM4EHTTKMT2A
SCHEMBL5074424 0.80 CYP1A2 (0.44) THRATHRBKDM4EKMT2AMEN1
SCHEMBL3128285 0.77 THRB (0.43) THRATHRB
SCHEMBL3142072 0.76 ALOX15 (0.43) THRATHRBKDM4EMIFKMT2A
SCHEMBL3138058 0.76 THRA (0.41) THRATHRBKDM4EMIFKMT2A
SCHEMBL3140925 0.76 THRA (0.45) PTPN7THRATHRBPDE2APDE3B

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 PTPN7 757/4885THRA 4/4885THRB 6/4885

“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.