SCHEMBL5585544

SCHEMBL5585544

CC(C)(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.57
RXRA P19793 2/20 0.57
RXRB P28702 2/20 0.57
BCL2 P10415 2/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
NR4A1 P22736 2/20 0.48
NR4A3 Q92570 2/20 0.48
ALDH1A1 P00352 1/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
PIN1 Q13526 1/20 0.46
MCL1 Q07820 1/20 0.46
POLB P06746 2/20 0.46
SRD5A2 P31213 1/20 0.46
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL5585293 0.87 RXRA (0.50) NR4A2RXRARXRBBCL2RAB9A
SCHEMBL5585846 0.86 RXRA (0.49) NR4A2RXRARXRBBCL2RAB9A
SCHEMBL5585454 0.81 RXRA (0.64) NR4A2RXRARXRBBCL2RAB9A
SCHEMBL4038358 0.79 PPARD (0.47) NR4A2RXRARXRBALOX5PPARD
SCHEMBL5585565 0.78 CSNK2A1 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1ALOX5
SCHEMBL4029432 0.77 APP (0.48) RXRARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5582767 0.77 NR4A2 (0.81) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL1756343 0.77 NR4A2 (0.81) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL4453953 0.76 RAB9A (0.53) NR4A2RXRARXRBRAB9ANPC1
SCHEMBL5585641 0.76 PTGER1 (0.55) RXRARXRB

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 NR4A2 895/4885RXRA 582/4885RXRB 427/4885

“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.