SCHEMBL6511236

SCHEMBL6511236

O=C(O)C(F)c1cc(Br)c(Oc2ccc3[nH]cc(Cc4ccc(Cl)cc4)c3c2)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.42
THRB P10828 3/20 0.42
SNCA P37840 10/20 0.40
GPR84 Q9NQS5 1/20 0.39
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LTA4H P09960 1/20 0.38
PLA2G2A P14555 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL6512774 0.92 THRA (0.50) THRATHRBSNCAGPR84HTR2A
SCHEMBL6520175 0.91 THRA (0.43) THRATHRBSNCAGPR84HTR2A
SCHEMBL6512203 0.90 THRA (0.46) THRATHRBSNCAGPR84HTR2A
SCHEMBL6523667 0.87 THRA (0.54) THRATHRBSNCAHTR2A
SCHEMBL6513001 0.86 THRA (0.44) THRATHRBSNCAHTR2AKDM4E
SCHEMBL6511134 0.85 THRB (0.52) THRATHRBSNCAKDM4E
SCHEMBL6522338 0.84 THRA (0.50) THRATHRBSNCAGPR84HTR2A
SCHEMBL6515920 0.83 THRA (0.46) THRATHRBSNCAGPR84HTR2A
SCHEMBL6515988 0.81 SMN1; SMN2 (0.46) THRATHRBMEN1KMT2AKDM4E
SCHEMBL6520609 0.81 THRA (0.55) THRATHRBGPR84HTR2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 THRA 2460/4885THRB 1772/4885SNCA 282/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885SNCA 2693/4885

“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.