SCHEMBL3138737

SCHEMBL3138737

CCCc1cc(C)c2cc(Oc3c(Br)cc(/C=C/C(=O)O)cc3Br)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.42
ESR1 P03372 6/20 0.40
ESR2 Q92731 6/20 0.40
CYSLTR1 Q9Y271 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
SCHEMBL3138746 1.00 MCHR1 (0.42) MCHR1ESR1ESR2CYSLTR1
SCHEMBL3135783 0.86 KDM4E (0.43) ESR1ESR2
SCHEMBL3135791 0.86 KDM4E (0.43) ESR1ESR2
SCHEMBL3137560 0.85 THRA (0.46) MCHR1
SCHEMBL3145813 0.82 THRA (0.52) ESR1
SCHEMBL3138058 0.82 THRA (0.41)
SCHEMBL5073565 0.81 KDM4E (0.38)
SCHEMBL3137511 0.80 THRA (0.52) MCHR1
SCHEMBL3140915 0.79 THRA (0.38)
SCHEMBL3138206 0.79 THRB (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR MCHR1 268/4885ESR1 269/4885ESR2 270/4885

“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.