SCHEMBL5206931

SCHEMBL5206931

O=C(O)CCc1oc(-c2cccc3ccccc23)nc1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.51
RXRB P28702 13/20 0.51
RXRG P48443 10/20 0.51
S1PR1 P21453 1/20 0.46
NR4A2 P43354 4/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
DHODH Q02127 1/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5209850 0.87 KDM4E (0.41) RXRARXRBRXRGPTGDR2MEN1
SCHEMBL5213088 0.85 RXRA (0.56) RXRARXRBRXRGS1PR1NR4A2
SCHEMBL5210892 0.85 RXRA (0.62) RXRARXRBRXRGNR4A2PTGDR2
SCHEMBL5210730 0.82 RXRA (0.53) RXRARXRBRXRGNR4A2PTGDR2
SCHEMBL5215239 0.82 HTR2C (0.44) POLBMAPTRAB9AHTR2C
SCHEMBL5210928 0.81 RXRA (0.46) RXRARXRBRXRGS1PR1NR4A2
SCHEMBL5215303 0.80 RXRA (0.48) RXRARXRBRXRGS1PR1NR4A2
SCHEMBL5211557 0.78 RXRA (0.56) RXRARXRBRXRGNR4A2PTGDR2
SCHEMBL5211488 0.78 RXRA (0.50) RXRARXRBRXRGPTGDR2TSHR
SCHEMBL5208589 0.77 RXRA (0.56) RXRARXRBRXRGNR4A2PTGDR2

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 RXRA 1231/4885RXRB 1269/4885RXRG 1203/4885

“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.