SCHEMBL3145897

SCHEMBL3145897

CCCc1cc(C)c2cc(Oc3c(Cl)cc(CCC(=O)O)cc3Cl)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 12/20 0.52
THRB P10828 12/20 0.52
KDM4E B2RXH2 2/20 0.41
FFAR1 O14842 2/20 0.40
HPGD P15428 1/20 0.40
PCNA P12004 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MCHR1 Q99705 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
SCHEMBL3145813 0.88 THRA (0.52) THRATHRBKDM4EFFAR1HPGD
SCHEMBL3145340 0.87 THRA (0.55) THRATHRBKDM4EFFAR1HPGD
SCHEMBL5074393 0.82 KDM4E (0.37) THRATHRBKDM4EFFAR1HPGD
SCHEMBL3127311 0.77 THRA (0.45) THRATHRB
SCHEMBL3137560 0.76 THRA (0.46) THRATHRBKDM4EHPGDPOLB
SCHEMBL3138058 0.76 THRA (0.41) THRATHRBKDM4EHPGD
SCHEMBL3145925 0.76 THRA (0.45) THRATHRB
SCHEMBL3140997 0.74 THRA (0.55) THRATHRBKDM4EFFAR1HPGD
SCHEMBL5073565 0.74 KDM4E (0.38) KDM4EHPGDPOLB
SCHEMBL3137511 0.73 THRA (0.52) THRATHRBMCHR1

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 THRA 4/4885THRB 6/4885KDM4E 1562/4885

“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.