SCHEMBL6519798

SCHEMBL6519798

O=C(O)OCc1ccc2cc3ccccc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
CYP1A2 P05177 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 3/20 0.43
PTPN7 P35236 1/20 0.42
MAOB P27338 1/20 0.42
TACR1 P25103 1/20 0.42
PLA2G4B P0C869 1/20 0.42
ALOX5 P09917 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6443298 0.95 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1CYP1A2MRGPRX4
SCHEMBL6519797 0.87 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1CYP1A2MRGPRX4
SCHEMBL28936084 0.81 CYP1A2 (0.54) SLC1A3SLC1A2SLC1A1CYP1A2MRGPRX4
SCHEMBL28936085 0.81 CYP1A2 (0.54) SLC1A3SLC1A2SLC1A1CYP1A2MRGPRX4
SCHEMBL15020010 0.80 THRB (0.46) SLC1A3SLC1A2SLC1A1CYP1A2RAB9A
SCHEMBL15020200 0.80 THRB (0.46) SLC1A3SLC1A2SLC1A1CYP1A2RAB9A
SCHEMBL26936005 0.80 THRB (0.46) SLC1A3SLC1A2SLC1A1CYP1A2RAB9A
SCHEMBL6443296 0.80 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1CYP1A2MRGPRX4
SCHEMBL5970566 0.79 PTPN7 (0.51) SLC1A3SLC1A2SLC1A1CYP1A2MRGPRX4
SCHEMBL15020074 0.79 TACR1 (0.43) SLC1A3SLC1A2SLC1A1CYP1A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050269563-A1 Fullerodendrimer-comprising film ECODEVICE LABORATORY CO., LTD. (JP) 2005-12-08 US disclosed
US-20040175568-A1 Can be applied to organic semiconductor devices utilizing the optophysicochemical characteristics of fullerene, and in particular, to solar panel materials, organic EL materials, photorefractive polymers, electrophotographic light-sensitive materials, film materials having environmental cleansing actions ECODEVICE LABORATORY CO., LTD. (JP) 2004-09-09 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-20050269563-A1 Fullerodendrimer-comprising film TOMM70, SCO2, S100A10 SLC1A3 2516/4885SLC1A2 2535/4885SLC1A1 3143/4885

“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.