SCHEMBL5585212

SCHEMBL5585212

O=C(O)c1ccc(C2(c3nc(-c4ccc(OCc5ccc(C6CCCCC6)cc5)cc4)cs3)CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
CPT2 P23786 2/20 0.41
CPT1A P50416 2/20 0.41
CPT1B Q92523 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
FFAR1 O14842 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTPN1 P18031 1/20 0.39
RXRB P28702 5/20 0.38
RXRA P19793 4/20 0.38
RXRG P48443 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
NR4A2 P43354 2/20 0.37
POLB P06746 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
SCHEMBL5585912 1.00 HRH3 (0.44) HRH3CPT2CPT1ACPT1BMRGPRX4
SCHEMBL5585388 0.94 HRH3 (0.41) HRH3CPT2CPT1ACPT1BMRGPRX4
SCHEMBL5585879 0.84 NPC1 (0.46) HRH3MRGPRX4FFAR1NPC1RAB9A
SCHEMBL5585514 0.83 HRH3 (0.48) HRH3CPT2CPT1ACPT1BMRGPRX4
SCHEMBL5585726 0.83 HRH3 (0.48) HRH3CPT2CPT1ACPT1BMRGPRX4
SCHEMBL5585882 0.82 HRH3 (0.47) HRH3CPT2CPT1ACPT1BMRGPRX4
SCHEMBL5585872 0.82 HRH3 (0.47) HRH3CPT2CPT1ACPT1BMRGPRX4
SCHEMBL5585929 0.80 CSNK2A1 (0.58) HRH3CPT2CPT1ACPT1BNPC1
SCHEMBL5585386 0.80 CPT1A (0.46) HRH3CPT2CPT1ACPT1BMRGPRX4
SCHEMBL5999835 0.80 HRH3 (0.45) HRH3CPT2CPT1ACPT1BMRGPRX4

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 5 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-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 HRH3 840/4885CPT2 2684/4885CPT1A 753/4885

“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.