SCHEMBL6539573

SCHEMBL6539573

CCCCCC([O])N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.33

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
SCHEMBL2452380 0.94 HRH3 (0.42) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL6539305 0.85 SLC6A3 (0.41) SLC6A2SLC6A3SLC6A4
SCHEMBL6686417 0.82 SLC6A3 (0.42) SLC6A2SLC6A3SLC6A4
SCHEMBL6539704 0.80 KCNH2 (0.39) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL6684791 0.79 MAPT (0.35) L3MBTL1TDP1MAPTMAPK1NPSR1
SCHEMBL24688643 0.78 HRH3 (0.40) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL9370536 0.78 HRH3 (0.40) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL3160023 0.78 HRH3 (0.40) L3MBTL1MEN1KMT2ATDP1MAPT
Ammonia Solution, Strong SCHEMBL28716268 0.78 HRH3 (0.37) L3MBTL1MEN1KMT2ATDP1MAPT
SCHEMBL22877461 0.77 HRH3 (0.42) L3MBTL1MEN1KMT2ATDP1MAPT

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 L3MBTL1 3513/4885MEN1 789/4885KMT2A 4671/4885

“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.