SCHEMBL6540133

SCHEMBL6540133

CCCCCCCOCc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLA2G4B P0C869 1/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CES2 O00748 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6999535 1.00 NR5A1 (0.42) NR5A1L3MBTL1TDP1PLA2G4BMEN1
SCHEMBL7003091 0.98 NR5A1 (0.39) NR5A1L3MBTL1TDP1PLA2G4BMEN1
SCHEMBL9687974 0.96 MEN1 (0.44) NR5A1L3MBTL1TDP1PLA2G4BMEN1
SCHEMBL9688098 0.95 MEN1 (0.41) NR5A1L3MBTL1TDP1PLA2G4BMEN1
SCHEMBL990609 0.92 L3MBTL1 (0.39) NR5A1L3MBTL1TDP1PLA2G4BALDH1A1
SCHEMBL7299873 0.89 TSHR (0.40) NR5A1L3MBTL1TDP1MEN1THRB
SCHEMBL5958235 0.84 TSHR (0.36) L3MBTL1TDP1KDM4ELTA4H
SCHEMBL991496 0.84 MEN1 (0.42) NR5A1MEN1THRBHTTKMT2A
SCHEMBL16892528 0.84 ALDH1A1 (0.49) MEN1THRBHTTKMT2AMAPT
SCHEMBL16892524 0.84 ALDH1A1 (0.45) MEN1THRBHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082757-A1 Echinocandin derivatives, pharmaceutical compositions containing same and use thereof as drugs ASTELLAS PHARMA INC. (JP) 2004-04-29 US disclosed
EP-1366065-A1 ECHINOCANDIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF AS DRUGS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002068456-A1 ECHINOCANDIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF AS DRUGS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-06 WO disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO 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-20040082757-A1 Echinocandin derivatives, pharmaceutical compositions containing same and use thereof as drugs MAN2B1, MAN2A1, ALG1 NR5A1 516/4885L3MBTL1 3513/4885TDP1 1098/4885

“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.