SCHEMBL13050784

SCHEMBL13050784

COCCCNCCCOCCCNCCCOCCCNCCCO

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
SAT1 P21673 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL21361425 0.93 ALDH1A1 (0.45) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL5933233 0.86 MAPK1 (0.43) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL5933722 0.86 MAPK1 (0.43) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL29923169 0.86 MEN1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL18354294 0.85 MEN1 (0.46) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL18359267 0.85 MEN1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL19860988 0.85 MEN1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL22800802 0.84 KDM4E (0.42) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL22800848 0.84 KDM4E (0.42) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL26516395 0.84 KDM4E (0.42) ALDH1A1GAAMEN1KMT2ATSHR

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-20100297104-A1 DENDRITIC MACROMOLECULE AND A PROCESS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2010-11-25 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-20100297104-A1 DENDRITIC MACROMOLECULE AND A PROCESS THEREOF CD14, TLR3, CD40 ALDH1A1 3319/4885GAA 3042/4885MEN1 2668/4885

“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.