SCHEMBL5207941

SCHEMBL5207941

O=C(O)CCc1oc(C2CCCCC2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.47
RXRB P28702 6/20 0.47
RXRG P48443 5/20 0.47
ALDH1A1 P00352 2/20 0.45
ALOX15B O15296 1/20 0.45
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
TSHR P16473 1/20 0.43
CNR1 P21554 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
ADCY1 Q08828 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5211184 0.90 ALDH1A1 (0.44) RXRARXRBRXRGALDH1A1ALOX15B
SCHEMBL5212420 0.87 ALDH1A1 (0.43) ALDH1A1ALOX15BPLA2G1BATG4BCNR1
SCHEMBL7459182 0.81 PLA2G1B (0.53) RXRARXRBRXRGALDH1A1PLA2G1B
SCHEMBL5211357 0.81 RXRA (0.45) RXRARXRBRXRGALDH1A1PLA2G1B
SCHEMBL5208589 0.79 RXRA (0.56) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL7456584 0.77 RXRA (0.47) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL7463596 0.77 RXRA (0.47) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL5213719 0.76 RXRA (0.54) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL6609144 0.76 RXRA (0.46) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL7458941 0.76 RXRA (0.42) RXRARXRBRXRGALDH1A1PLA2G1B

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.