SCHEMBL5396368

SCHEMBL5396368

COc1c(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)ccc(OCc2ccccc2)c1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
POLB P06746 2/20 0.41
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
HPD P32754 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ABCB1 P08183 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP19A1 P11511 1/20 0.36
SGMS2 Q8NHU3 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
SCHEMBL5397557 0.85 SLC2A1 (0.36) ALDH1A1HTTNPC1RAB9A
SCHEMBL5397938 0.85 NPC1 (0.35) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL5393844 0.84 CTSV (0.44) CTSVCTSLPOLBHTR1AADRA1D
SCHEMBL5394108 0.84 RXRA (0.42) CTSVCTSLALDH1A1HTT
SCHEMBL5397736 0.83 MAOB (0.37) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL5398175 0.82 THRB (0.43) POLBMEN1KMT2AMAPTHPD
SCHEMBL5401791 0.80 CYP19A1 (0.42) CTSVCTSLPOLBMEN1KMT2A
SCHEMBL5399271 0.80 POLB (0.42) CTSVCTSLPOLBHTR1AADRA1D
SCHEMBL5401353 0.79 THRB (0.54) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5401717 0.79 CYP19A1 (0.45) CTSVCTSLPOLBMEN1KMT2A

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 CTSV 3618/4885CTSL 880/4885POLB 4681/4885

“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.