SCHEMBL3039637

SCHEMBL3039637

CC(=O)OCC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR2 Q92731 2/20 0.44
ESR1 P03372 1/20 0.44
PLA2G4B P0C869 1/20 0.43

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
SCHEMBL1907159 0.86 NPC1 (0.61) ALDH1A1NPC1RAB9AHPGDKDM4E
Methane SCHEMBL11751846 0.84 NPC1 (0.59) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL4775788 0.84 ALDH1A1 (0.64) ALDH1A1NPC1RAB9ATP53HSD17B10
SCHEMBL4549475 0.84 RAB9A (0.64) ALDH1A1NPC1RAB9ATP53HSD17B10
SCHEMBL11758104 0.83 MAPT (0.62) ALDH1A1NPC1RAB9AHPGDKDM4E
SCHEMBL3041661 0.82 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ATP53HSD17B10
SCHEMBL11757716 0.82 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ATP53HSD17B10
SCHEMBL6989723 0.82 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ATP53HSD17B10
SCHEMBL19426876 0.82 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ATP53HSD17B10
SCHEMBL1155564 0.82 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ATP53HSD17B10

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-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2010-08-19 US disclosed
US-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2010-08-19 US disclosed
US-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2010-08-19 US disclosed
WO-2008008481-A2 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER GEORGIA TECH RESEARCH CORPORATION (US) 2008-01-17 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-20100207078-A1 DEPROTECTION OF FUNCTIONAL GROUPS BY MULTI-PHOTON INDUCED ELECTRON TRANSFER GPX4, ERCC4, CYBA ALDH1A1 947/4885NPC1 3428/4885RAB9A 660/4885

“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.