SCHEMBL5585846

SCHEMBL5585846

CC(C)(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
NR4A2 P43354 1/20 0.49
HRH3 Q9Y5N1 1/20 0.44
FFAR1 O14842 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CPT2 P23786 1/20 0.41
CPT1A P50416 1/20 0.41
CPT1B Q92523 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
POLB P06746 2/20 0.40
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 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
SCHEMBL5585544 0.86 NR4A2 (0.57) RXRARXRBNR4A2RAB9ANPC1
SCHEMBL5585514 0.83 HRH3 (0.48) RXRARXRBNR4A2HRH3FFAR1
SCHEMBL5585726 0.83 HRH3 (0.48) RXRARXRBNR4A2HRH3FFAR1
SCHEMBL5585572 0.82 HDAC3 (0.52) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5585872 0.82 HRH3 (0.47) RXRARXRBNR4A2HRH3FFAR1
SCHEMBL5585882 0.82 HRH3 (0.47) RXRARXRBNR4A2HRH3FFAR1
SCHEMBL5999838 0.81 HRH3 (0.44) RXRARXRBHRH3FFAR1RAB9A
SCHEMBL5585466 0.81 HRH3 (0.44) RXRARXRBHRH3FFAR1RAB9A
SCHEMBL5585571 0.81 HRH3 (0.44) RXRARXRBHRH3FFAR1RAB9A
SCHEMBL6000173 0.81 HRH3 (0.44) RXRARXRBHRH3FFAR1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 RXRA 582/4885RXRB 427/4885NR4A2 895/4885

“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.