SCHEMBL6539704

SCHEMBL6539704

CCCCCC([O])N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
KCNA5 P22460 2/20 0.39
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 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
SCHEMBL6539479 0.94 KCNH2 (0.39) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL2086387 0.86 TSHR (0.42) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL7104710 0.80 KCNH2 (0.41) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL6539573 0.80 L3MBTL1 (0.41) KMT2AALDH1A1MAPTNPSR1MEN1
SCHEMBL23381218 0.78 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL18403079 0.78 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL19505906 0.78 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL9740019 0.78 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL24901344 0.78 KCNH2 (0.40) KCNH2KCNA5LMNASMN1; SMN2KMT2A
SCHEMBL19865652 0.78 KCNH2 (0.43) KCNH2KCNA5LMNASMN1; SMN2KMT2A

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 KCNH2 3621/4885KCNA5 3173/4885LMNA 1474/4885

“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.