SCHEMBL13091055

SCHEMBL13091055

O=C(NCC1CCCO1)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.67
HSD17B10 Q99714 8/20 0.67
KDM4E B2RXH2 7/20 0.67
HPGD P15428 5/20 0.67
GAA P10253 5/20 0.67
GLA P06280 2/20 0.66
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
RECQL P46063 1/20 0.64
ESR1 P03372 2/20 0.64
HTT P42858 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL13091006 0.92 SMN1; SMN2 (0.78) ALDH1A1HSD17B10HPGDGAAMAPT
SCHEMBL12793634 0.83 ALDH1A1 (0.68) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL13091041 0.80 HTR3A (0.77) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL13091052 0.80 HTR3A (0.78) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL13091039 0.79 HTR3A (0.78) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL13091059 0.79 ESR1 (0.62) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL13091144 0.79 ALDH1A1 (0.69) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL13091133 0.78 TAOK1 (0.67) ALDH1A1HSD17B10HPGDGAAMAPT
SCHEMBL13091071 0.78 MAPT (0.73) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL13091043 0.75 HPGD (0.68) ALDH1A1HSD17B10KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 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-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD ALDH1A1 3966/4885HSD17B10 2550/4885KDM4E 3186/4885

“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.