SCHEMBL5396348

SCHEMBL5396348

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
BACE1 P56817 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
THRB P10828 3/20 0.38
THRA P10827 2/20 0.38
TUBB1 Q9H4B7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CTSV O60911 2/20 0.37

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
SCHEMBL6622481 0.92 POLB (0.41) POLBHTR1AADRA1DADRA1AADRA1B
SCHEMBL5402521 0.88 POLB (0.38) POLBHTR1AADRA1DADRA1AADRA1B
SCHEMBL5399271 0.87 POLB (0.42) POLBHTR1AADRA1DADRA1AADRA1B
SCHEMBL5398333 0.85 THRB (0.43) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5391984 0.85 THRB (0.41) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5398175 0.85 THRB (0.43) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5399603 0.85 MEN1 (0.52) POLBMAPTMEN1KMT2ANPC1
SCHEMBL5396921 0.85 POLB (0.36) POLBHTR1AADRA1DADRA1AADRA1B
SCHEMBL5396917 0.85 POLB (0.36) POLBHTR1AADRA1DADRA1AADRA1B
SCHEMBL5391635 0.85 BACE1 (0.37) POLBHTR1AADRA1DADRA1AADRA1B

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 POLB 4681/4885HTR1A 808/4885ADRA1D 134/4885

“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.