SCHEMBL5401756

SCHEMBL5401756

COc1ccc(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
MERTK Q12866 1/20 0.43
ALDH1A1 P00352 9/20 0.42
MAPK1 P28482 5/20 0.42
HPGD P15428 4/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 6/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 4/20 0.39
RAF1 P04049 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 5/20 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
SCHEMBL5391479 0.88 THRB (0.54) ALDH1A1MAPK1HPGDTHRBMAPT
SCHEMBL5402566 0.82 TLR9 (0.56) MAPTKMT2AMEN1CYP1A2
SCHEMBL5402572 0.82 TLR9 (0.56) MAPTKMT2AMEN1CYP1A2
SCHEMBL5394328 0.82 MAPT (0.44) ALDH1A1MAPK1HPGDMAPTGAA
SCHEMBL5396370 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1HPGDTHRBMAPT
SCHEMBL5401868 0.81 KDM4E (0.43) ALDH1A1HPGDTHRBMAPTLMNA
SCHEMBL5399603 0.80 MEN1 (0.52) THRBMAPTLMNATDP1SMN1; SMN2
SCHEMBL5402710 0.79 CYP19A1 (0.44) ALDH1A1MAPK1HPGDMAPTLMNA
SCHEMBL5402707 0.79 CYP19A1 (0.44) ALDH1A1MAPK1HPGDMAPTLMNA
SCHEMBL5401337 0.78 ERN1 (0.44) THRB

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 HTR7 159/4885MERTK 1335/4885ALDH1A1 3008/4885

“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.