SCHEMBL5396331

SCHEMBL5396331

Cc1cc([N+](=O)[O-])c2c(c1Oc1ccc(OCc3ccccc3)c(Cc3ccc(F)cc3)c1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.48
THRA P10827 6/20 0.48
HPD P32754 3/20 0.41
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXRG P48443 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL5398333 0.87 THRB (0.43) THRBTHRAPOLBMAPTSMN1; SMN2
SCHEMBL5391984 0.87 THRB (0.41) THRBTHRAPOLBMAPTSMN1; SMN2
SCHEMBL5407697 0.86 THRB (0.49) THRBTHRAHPDRXRGALDH1A1
SCHEMBL5402477 0.86 THRB (0.49) THRBTHRAHPDRXRGALDH1A1
SCHEMBL5406091 0.86 THRB (0.49) THRBTHRAHPDRXRGALDH1A1
SCHEMBL5393114 0.86 THRB (0.55) THRBTHRARXRGALDH1A1PKM
SCHEMBL5398469 0.85 THRB (0.53) THRBTHRAHPDRXRG
SCHEMBL5397723 0.84 THRB (0.48) THRBTHRAHPDRXRGALDH1A1
SCHEMBL5392015 0.84 THRB (0.47) THRBTHRAHPDRXRGALDH1A1
SCHEMBL5404412 0.84 THRA (0.53) THRBTHRARXRG

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-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP 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-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof TSHR, THRA, THRB THRB 3/4885THRA 2/4885HPD 4640/4885

“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.