SCHEMBL10038465

SCHEMBL10038465

C=COCCOc1cccc(N2C(=O)C=C(C)C2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
RAB9A P51151 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM5 P41594 1/20 0.37
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
RCE1 Q9Y256 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL10038470 0.86 HPGD (0.36) RAB9AMGLLALDH1A1MAPTLMNA
SCHEMBL10038476 0.82 MGLL (0.53) KMT2AGRM5MGLLALDH1A1MEN1
SCHEMBL21756621 0.76 MGLL (0.46) KMT2ARAB9AGRM5MGLLALDH1A1
SCHEMBL10038477 0.76 KMT2A (0.43) KMT2ARAB9AGRM5ALDH1A1MEN1
SCHEMBL96043 0.75 MGLL (0.52) KMT2ARAB9AMGLLALDH1A1MEN1
SCHEMBL28527836 0.73 MGLL (0.45) KMT2AGRM5MGLLALDH1A1MEN1
SCHEMBL419321 0.73 MAPK1 (0.44) KMT2ARAB9ATDP1ALDH1A1MEN1
SCHEMBL15282329 0.72 MAPK1 (0.43) KMT2ARAB9ATDP1ALDH1A1MEN1
SCHEMBL13133148 0.71 HSD17B10 (0.54) KMT2ATDP1MGLLALDH1A1MEN1
SCHEMBL3426128 0.70 MAPK1 (0.43) KMT2ARAB9ATDP1ALDH1A1MEN1

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-8158748-B2 Hetero-functional compounds and methods for use thereof DESIGNER MOLECULES, INC. (US) 2012-04-17 US disclosed
US-8158748-B2 Hetero-functional compounds and methods for use thereof DESIGNER MOLECULES, INC. (US) 2012-04-17 US disclosed
US-20100041845-A1 HETERO-FUNCTIONAL COMPOUNDS AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2010-02-18 US disclosed
US-20100041845-A1 HETERO-FUNCTIONAL COMPOUNDS AND METHODS FOR USE THEREOF DESIGNER MOLECULES, INC. (US) 2010-02-18 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-20100041845-A1 HETERO-FUNCTIONAL COMPOUNDS AND METHODS FOR USE THEREOF C9, C3AR1, C1S KMT2A 3084/4885RAB9A 4142/4885TDP1 3679/4885

“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.