SCHEMBL6695591

SCHEMBL6695591

COC(=O)COc1nc(F)c(Cl)c(Oc2ccc(OC)c(-c3cccc(Cl)c3)c2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.42
▸ PDE4B Q07343 2/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ CTSA P10619 5/20 0.38
▸ LPAR2 Q9HBW0 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ DHPS P49366 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ SMPD1 P17405 1/20 0.36

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
SCHEMBL6704911 0.91 THRA (0.43) PDE4DCTSAHDAC4HDAC2HDAC8
SCHEMBL6697148 0.83 MAPK1 (0.37) LPAR2KDM4EALDH1A1MAPTMEN1
SCHEMBL6692303 0.81 RORC (0.48) THRATHRB
SCHEMBL6700899 0.80 THRB (0.50) THRATHRB
SCHEMBL6690029 0.76 THRB (0.43) PDE4DCTSAHDAC4HDAC2HDAC8
SCHEMBL6693972 0.74 THRA (0.50) THRATHRB
SCHEMBL16158624 0.73 PDE4B (0.46) PDE4DPDE4BLPAR2ALDH1A1MAPT
SCHEMBL6694659 0.72 RORC (0.49) THRATHRB
SCHEMBL6692400 0.71 THRB (0.64) THRATHRB
SCHEMBL6690833 0.71 THRB (0.57) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747048-B2 TREATING DISEASES OR DISORDERS ASSOCIATED WITH METABOLISM DYSFUNCTION OR WHICH ARE DEPENDENT UPON THE EXPRESSION OF A T3 REGULATED GENE, BRISTOL-MYERS SQUIBB COMPANY 2004-06-08 — — US disclosed
US-20040039028-A1 Pyridine-based thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 — — US disclosed
WO-2003094845-A2 PYRIDINE-BASED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-20 — — 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 (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-20040039028-A1 Pyridine-based thyroid receptor ligands TSHR, THRB, THRA PDE4D 4331/4885PDE4B 4385/4885SCN9A 2617/4885

“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.

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