SCHEMBL6512367

SCHEMBL6512367

CC(C)c1c[nH]c2ccc(Oc3c(Cl)cc(N)cc3Cl)cc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 15/20 0.63
THRA P10827 14/20 0.63
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
RORC P51449 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 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
SCHEMBL6515707 0.93 THRB (0.60) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL7086230 0.86 THRA (0.60) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL6512292 0.86 THRA (0.59) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL6524751 0.84 THRB (0.62) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL6511447 0.84 THRB (0.62) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL6514228 0.84 THRB (0.60) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL6515758 0.82 THRA (0.60) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL7082352 0.81 THRA (0.69) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL7091262 0.81 THRA (0.61) THRBTHRAHTR2AHTR2CHTR2B
SCHEMBL6521769 0.81 THRB (0.57) THRBTHRAHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020227549-A1 MODULATORS OF THR-β AND METHODS OF USE THEREOF ALIGOS THERAPEUTICS, INC. (US) 2020-11-12 WO disclosed
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 THRB 1772/4885THRA 2460/4885HTR2A 11/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRB 1835/4885THRA 1917/4885HTR2A 1116/4885

“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.