SCHEMBL6511399

SCHEMBL6511399

CC(C)Cc1c[nH]c2ccc(Oc3c(Cl)cc(OCC(=O)O)cc3Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
THRA P10827 8/20 0.43
THRB P10828 8/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TRPV1 Q8NER1 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
MTNR1B P49286 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
SCHEMBL6520093 0.93 THRA (0.46) KDM4ETHRATHRBHTR1AHTR2A
SCHEMBL6515823 0.93 KDM4E (0.48) KDM4ETHRATHRBHTR1AHTR2A
SCHEMBL6520704 0.90 THRA (0.48) KDM4ETHRATHRBHTR1AHTR2A
SCHEMBL6516605 0.90 THRB (0.48) KDM4ETHRATHRBHTR1AHTR2A
SCHEMBL6511324 0.88 THRA (0.52) KDM4ETHRATHRB
SCHEMBL6512073 0.88 KDM4E (0.45) KDM4ETHRATHRBHTR1AHTR2A
SCHEMBL6511308 0.87 THRA (0.55) THRATHRB
SCHEMBL6862375 0.86 THRA (0.54) KDM4ETHRATHRBHTR1AHTR2A
SCHEMBL6516349 0.86 THRA (0.54) KDM4ETHRATHRBHTR1AHTR2A
SCHEMBL6511502 0.86 KDM4E (0.43) KDM4EHTR1AHTR2AKMT2AMEN1

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 KDM4E 1199/4885THRA 2460/4885THRB 1772/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP KDM4E 2994/4885THRA 1917/4885THRB 1835/4885

“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.