SCHEMBL11961373

SCHEMBL11961373

CC1CCC(C2CCC(C3CCC(C)O3)O2)O1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
GMNN O75496 2/20 0.33
LMNA P02545 2/20 0.33
PMP22 Q01453 2/20 0.33
TFPI2 P48307 2/20 0.33
TP53 P04637 2/20 0.33
NFKB1 P19838 2/20 0.33
THPO P40225 2/20 0.33
TSHR P16473 1/20 0.33
PPM1B O75688 1/20 0.32
PPP1CC P36873 1/20 0.32
RAB9A P51151 1/20 0.32
PPP5C P53041 1/20 0.32
PPP1CA P62136 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11961376 0.97 MEN1 (0.32) MEN1KMT2A
SCHEMBL14525618 0.97 MEN1 (0.32) MEN1KMT2A
SCHEMBL9062787 0.78
SCHEMBL17379189 0.78
SCHEMBL9681629 0.78
SCHEMBL9681638 0.78
SCHEMBL14049460 0.78
SCHEMBL27888 0.78
SCHEMBL36353 0.78 KDM4E (0.44) KDM4EGMNNLMNAPMP22TFPI2
SCHEMBL22166299 0.77 CHRM2 (0.34)

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-9427425-B2 Extracts, fractions and compositions comprising acetogenins and their applications LAILA NUTRACEUTICALS (IN) 2016-08-30 US disclosed
US-9427425-B2 Extracts, fractions and compositions comprising acetogenins and their applications LAILA NUTRACEUTICALS (IN) 2016-08-30 US disclosed
US-20120201884-A1 EXTRACTS, FRACTIONS AND COMPOSITIONS COMPRISING ACETOGENINS AND THEIR APPLICATIONS LAlLA NUTRACEUTICALS (IN) 2012-08-09 US disclosed
US-20120201884-A1 EXTRACTS, FRACTIONS AND COMPOSITIONS COMPRISING ACETOGENINS AND THEIR APPLICATIONS LAlLA NUTRACEUTICALS (IN) 2012-08-09 US 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-20120201884-A1 EXTRACTS, FRACTIONS AND COMPOSITIONS COMPRISING ACETOGENINS AND THEIR APPLICATIONS TNF, IFNG, CXCL10 KDM4E 4377/4885GMNN 2455/4885LMNA 2541/4885

“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.