SCHEMBL3130655

SCHEMBL3130655

Nc1ccc(Oc2c(Br)cc(C=CC(=O)O)cc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
SRD5A2 P31213 1/20 0.43
THRB P10828 3/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
HPGD P15428 1/20 0.41
HTR2C P28335 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
KRAS P01116 1/20 0.40
THRA P10827 2/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 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
SCHEMBL3130645 1.00 KDM4E (0.46) KDM4EGAANPSR1AKR1C3AKR1C2
SCHEMBL4295197 0.86 KDM4E (0.44) KDM4EGAANPSR1AKR1C3AKR1C2
SCHEMBL4295204 0.86 KDM4E (0.44) KDM4EGAANPSR1AKR1C3AKR1C2
SCHEMBL3133373 0.85 EPHX2 (0.44) KDM4EGAAAKR1C3ALDH1A1ESR1
SCHEMBL3133367 0.85 EPHX2 (0.44) KDM4EGAAAKR1C3ALDH1A1ESR1
SCHEMBL13521772 0.82 CYP3A4 (0.48) THRBALDH1A1ESR1CA1CA2
SCHEMBL3141009 0.81 MEN1 (0.47) KDM4EGAANPSR1SRD5A2ESR1
SCHEMBL3140994 0.81 MEN1 (0.47) KDM4EGAANPSR1SRD5A2ESR1
SCHEMBL18410067 0.80 SRD5A2 (0.64) KDM4ENPSR1SRD5A2THRBATM
SCHEMBL7071180 0.76 THRA (0.68) THRBTHRA

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 4 patents. 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
US-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 US disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO 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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA KDM4E 1169/4885GAA 4864/4885NPSR1 31/4885
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR KDM4E 1562/4885GAA 1547/4885NPSR1 208/4885

“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.