SCHEMBL10117441

SCHEMBL10117441

O=C(O)NCCc1ccc(OC(=O)CCc2ccc(O)c(O)c2)c(OC(=O)CCc2ccc(O)c(O)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
PTGS1 P23219 1/20 0.51
BLM P54132 1/20 0.51
HIF1A Q16665 1/20 0.51
APP P05067 3/20 0.50
TRPV1 Q8NER1 3/20 0.49
SLC7A5 Q01650 1/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ERCC1 P07992 2/20 0.46
ERCC4 Q92889 2/20 0.46
ALPL P05186 1/20 0.45
ADRB2 P07550 1/20 0.45

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
SCHEMBL18273960 0.89 MAPT (0.68) MAPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL6420228 0.82 MAPT (0.72) MAPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL1706332 0.79 APP (0.61) MAPTHSD17B10KDM4ELMNAHPGD
Hydrochloric Acid SCHEMBL4119472 0.76 TRPV1 (0.63) KDM4EALDH1A1HPGDPTGS1TRPV1
SCHEMBL10116816 0.75 MAPT (0.70) MAPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL6418730 0.74 MTNR1A (0.66) ALDH1A1LMNAGAATYRACHE
SCHEMBL27160492 0.74 GAA (0.60) MAPTALDH1A1LMNATRPV1GAA
SCHEMBL107219 0.73 MAPT (0.71) MAPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL175651 0.73 APP (0.57) MAPTHSD17B10KDM4EALDH1A1LMNA
SCHEMBL29116446 0.72 APP (0.64) MAPTHSD17B10KDM4EALDH1A1LMNA

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-8916652-B2 Multi-armed catechol compound blends KENSEY NASH CORPORATION (US) 2014-12-23 US disclosed
US-8119742-B2 Multi-armed catechol compound blends KNC NER ACQUISITION SUB, INC. (US) 2012-02-21 US disclosed
US-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-05-06 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-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS COMT, HAAO, PNMT MAPT 909/4885HSD17B10 859/4885KDM4E 357/4885

“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.