SCHEMBL5402566

SCHEMBL5402566

COc1ccc(/C=C/c2cc(Oc3c(C)cc([N+](=O)[O-])c4c3CCC4)ccc2OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.56
CYP19A1 P11511 4/20 0.45
NFE2L2 Q16236 4/20 0.45
CYP1A1 P04798 3/20 0.44
CYP1B1 Q16678 3/20 0.44
CYP1A2 P05177 2/20 0.43
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42

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
SCHEMBL5402572 1.00 TLR9 (0.56) TLR9CYP19A1NFE2L2CYP1A1CYP1B1
SCHEMBL5397904 0.91 TLR9 (0.47) TLR9CYP19A1NFE2L2CYP1A1CYP1B1
SCHEMBL5397903 0.91 TLR9 (0.47) TLR9CYP19A1NFE2L2CYP1A1CYP1B1
SCHEMBL5399259 0.91 TLR9 (0.50) TLR9CYP19A1NFE2L2CYP1A1CYP1B1
SCHEMBL5399264 0.91 TLR9 (0.50) TLR9CYP19A1NFE2L2CYP1A1CYP1B1
SCHEMBL5402707 0.89 CYP19A1 (0.44) TLR9CYP19A1NFE2L2CYP1A1CYP1B1
SCHEMBL5402710 0.89 CYP19A1 (0.44) TLR9CYP19A1NFE2L2CYP1A1CYP1B1
SCHEMBL5394328 0.86 MAPT (0.44) TLR9NFE2L2CYP1A2TUBB4ATUBB
SCHEMBL5401756 0.82 HTR7 (0.45) CYP1A2MEN1KMT2AMAPT
SCHEMBL5401868 0.77 KDM4E (0.43) MEN1KMT2AMAPT

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 TLR9 1229/4885CYP19A1 514/4885NFE2L2 4050/4885

“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.