SCHEMBL6691996

SCHEMBL6691996

COC(=O)Nc1nc(OCc2ccccc2)c(Cl)c(Oc2ccc(OC)c(C(C)C)c2)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 12/20 0.55
▸ THRB P10828 6/20 0.55
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL6691984 0.83 RORC (0.48) RORCTHRBCA1CA2ACHE
SCHEMBL6694659 0.75 RORC (0.49) RORCTHRBTHRA
SCHEMBL6692303 0.74 RORC (0.48) RORCTHRBTHRA
SCHEMBL7258655 0.70 RORC (0.46) RORCTHRBTHRA
SCHEMBL22959249 0.70 RORC (0.73) RORCTHRBNPC1RAB9ASMN1; SMN2
SCHEMBL6689993 0.69 RORC (0.48) RORCTHRBTHRA
SCHEMBL5619231 0.68 THRB (0.73) RORCTHRBTHRA
SCHEMBL6694690 0.68 RORC (0.56) RORCTHRBTHRA
SCHEMBL6695165 0.67 THRA (0.53) THRBTHRA
SCHEMBL282476 0.67 RORC (0.66) RORCTHRBTHRA

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 2 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

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 RORC 173/4885THRB 2/4885CA1 4054/4885

“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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