SCHEMBL5381978

SCHEMBL5381978

CCC(=O)Oc1cc(Cl)c(Oc2ccc(N)cc2)c(Cl)c1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
ESR1 P03372 2/20 0.35
HIF1A Q16665 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRA P10827 3/20 0.34
THRB P10828 3/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE7A Q13946 1/20 0.34
NPBWR1 P48145 1/20 0.34

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
SCHEMBL5389078 0.85 THRB (0.39) ALOX15ESR1HIF1AKMT2AALDH1A1
SCHEMBL5394381 0.84 KMT2A (0.44) KMT2AALDH1A1KDM4EGAAMAPK1
SCHEMBL5385576 0.80 KMT2A (0.41) ESR1KMT2AKDM4EMAOAMAOB
SCHEMBL5398426 0.76 THRB (0.60) KMT2AALDH1A1KDM4EGAATHRA
SCHEMBL5382640 0.76 THRB (0.54) KMT2ATHRATHRBRORCPOLB
SCHEMBL5385238 0.73 THRA (0.45) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL5389109 0.73 CYP19A1 (0.39) KMT2AALDH1A1KDM4EGAAHPGD
SCHEMBL14143479 0.70 ALOX15 (0.46) ALOX15ESR1HIF1AKMT2AALDH1A1
SCHEMBL614263 0.69 KMT2A (0.63) ESR1HIF1AKMT2AALDH1A1KDM4E
SCHEMBL8578409 0.69 THRB (0.49) KMT2AALDH1A1GAAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199265-B2 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2007-04-03 US disclosed
US-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones KARO BIO AB (SE) 2004-05-20 US disclosed
EP-1296936-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2003-04-02 EP disclosed
WO-2001098256-A1 THYROID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE IN THE TREATMENT OF DISORDERS INFLUENCED BY THYROID HORMONES KARO BIO AB (SE) 2001-12-27 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-20040097589-A1 Thyroid receptor ligands, pharmaceutical compositions comprising them and their use in the treatment of disorders influenced by thyroid hormones TSHR, THRA, THRB ALOX15 902/4885ESR1 362/4885HIF1A 1753/4885

“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.