SCHEMBL13802497

SCHEMBL13802497

O=C(O)Cc1cccc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.60
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 2/20 0.52
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
SLC13A5 Q86YT5 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
FABP4 P15090 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL13802498 0.86 RAB9A (0.63) AGBL2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL29642680 0.82 CYP3A4 (0.75) AGBL2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL138875 0.82 CYP3A4 (0.75) AGBL2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL3944098 0.82 CYP3A4 (0.75) AGBL2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL16675752 0.81 FYN (0.59) CYP3A4GABRA1GABRB2PTGS2CNR1
Hydrochloric Acid SCHEMBL8838333 0.81 CYP3A4 (0.73) AGBL2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL7332204 0.81 CYP3A4 (0.73) AGBL2ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL28032595 0.79 LMNA (0.63) CYP1A2CYP2C19GRIN2DGRIN3BGRIN1
SCHEMBL2929152 0.78 CALM1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL18015825 0.78 MAPT (0.55) ALDH1A1RAB9AGABRA1GABRB2NPC1

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 AGBL2 1600/4885ALDH1A1 2808/4885CYP1A2 461/4885

“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.