SCHEMBL21499397

SCHEMBL21499397

CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
F7 P08709 3/20 0.58
F3 P13726 3/20 0.58
CYP19A1 P11511 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
OXER1 Q8TDS5 2/20 0.58
PTGS1 P23219 2/20 0.58
PPARG P37231 2/20 0.58
PPARD Q03181 2/20 0.58
PPARA Q07869 2/20 0.58
KDM4E B2RXH2 1/20 0.58
FFAR1 O14842 1/20 0.58
NR1I2 O75469 1/20 0.58

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
SCHEMBL19051851 1.00 ALDH1A1 (0.58) ALDH1A1L3MBTL1TDP1F7F3
SCHEMBL19060656 0.95 L3MBTL1 (0.62) ALDH1A1L3MBTL1TDP1F7F3
SCHEMBL21499341 0.95 L3MBTL1 (0.62) ALDH1A1L3MBTL1TDP1F7F3
SCHEMBL31329282 0.90 L3MBTL1 (0.70) ALDH1A1L3MBTL1TDP1F7F3
SCHEMBL15934465 0.88 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1F7F3
SCHEMBL11545687 0.86 L3MBTL1 (0.77) L3MBTL1TDP1F7F3CYP19A1
SCHEMBL28188747 0.86 L3MBTL1 (0.77) L3MBTL1TDP1F7F3CYP19A1
SCHEMBL4242272 0.86 L3MBTL1 (0.77) L3MBTL1TDP1F7F3CYP19A1
SCHEMBL20215371 0.86 L3MBTL1 (0.77) L3MBTL1TDP1F7F3CYP19A1
SCHEMBL11545683 0.86 L3MBTL1 (0.77) L3MBTL1TDP1F7F3CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450271-B2 Compounds for inhibition of fungal toxin production BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2019-10-22 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-10450271-B2 Compounds for inhibition of fungal toxin production ERG28, CYP51A1, ETF1 ALDH1A1 4233/4885L3MBTL1 2416/4885TDP1 4003/4885

“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.