SCHEMBL5396333

SCHEMBL5396333

Nc1cc(Br)c(Oc2ccc(OCc3ccccc3)c3c2CCCC3)c2c1CCC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRB P28702 10/20 0.41
RXRA P19793 9/20 0.41
RXRG P48443 8/20 0.41
DHODH Q02127 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 1/20 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
SCHEMBL5394063 0.81 POLB (0.44) RXRBRXRARXRGDHODHPPARG
SCHEMBL5397848 0.81 THRB (0.45) RAB9A
SCHEMBL5833502 0.77 RXRA (0.49) RXRBRXRARXRGPPARGPPARD
SCHEMBL25732360 0.71 RXRB (0.49) RXRBRXRARXRGPPARGPPARD
SCHEMBL5392057 0.71 FFAR1 (0.39) RXRBRXRARXRG
SCHEMBL5397938 0.71 NPC1 (0.35) RXRBRXRARXRGRAB9A
SCHEMBL16347731 0.71 RAB9A (0.46) RXRBRXRARXRGHTR2AHTR2C
SCHEMBL646805 0.71 ALDH1A1 (0.51) RXRBRXRARXRGDHODHSMN1; SMN2
SCHEMBL5408088 0.70 ALDH1A1 (0.37) RXRBRXRARXRGRAB9AMRGPRX4
SCHEMBL5400955 0.70 CA9 (0.41) RXRBRXRARXRGSMN1; SMN2

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 RXRB 67/4885RXRA 57/4885RXRG 98/4885

“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.