SCHEMBL5401760

SCHEMBL5401760

COc1ccc(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)cc1C(=O)NC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.48
CNR2 P34972 3/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM1A O60341 2/20 0.46
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
TBXA2R P21731 1/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 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
SCHEMBL5394261 0.89 THRB (0.46) CNR1CNR2RAB9AALDH1A1NPC1
SCHEMBL6271810 0.84 CNR1 (0.48) CNR1CNR2RAB9AL3MBTL1ALDH1A1
SCHEMBL5401868 0.83 KDM4E (0.43) L3MBTL1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL5396370 0.83 ALDH1A1 (0.42) L3MBTL1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL5397581 0.78 MAPT (0.46) L3MBTL1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL5397801 0.77 THRB (0.54) RAB9AL3MBTL1ALDH1A1NPC1KMT2A
SCHEMBL5394328 0.74 MAPT (0.44) ALDH1A1HPGDKMT2AKDM4EMEN1
SCHEMBL5393818 0.74 CNR1 (0.48) CNR1CNR2RAB9AL3MBTL1ALDH1A1
SCHEMBL5401756 0.74 HTR7 (0.45) RAB9AL3MBTL1ALDH1A1NPC1HPGD
SCHEMBL12435557 0.74 ALDH1A1 (0.56) CNR1CNR2RAB9AL3MBTL1ALDH1A1

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 CNR1 28/4885CNR2 138/4885RAB9A 484/4885

“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.