SCHEMBL13802498

SCHEMBL13802498

O=C(O)Cc1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.63
SLC13A5 Q86YT5 1/20 0.60
CYP3A4 P08684 2/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
ABCC4 O15439 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
PTGS1 P23219 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
GABRA1 P14867 1/20 0.51
GABRB2 P47870 1/20 0.51
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
PTGER4 P35408 1/20 0.50

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
SCHEMBL138875 0.86 CYP3A4 (0.75) RAB9ACYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL29642680 0.86 CYP3A4 (0.75) RAB9ACYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL3944098 0.86 CYP3A4 (0.75) RAB9ACYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL13802497 0.86 AGBL2 (0.60) RAB9ASLC13A5CYP3A4ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8838333 0.85 CYP3A4 (0.73) RAB9ACYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL7332204 0.85 CYP3A4 (0.73) RAB9ACYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL18392739 0.80 CYP3A4 (0.52) RAB9ASLC13A5CYP3A4ALDH1A1CYP1A2
SCHEMBL2957608 0.79 CYP3A4 (0.65) RAB9ACYP3A4ALDH1A1CYP1A2CYP2C19
SCHEMBL7015047 0.79 ALDH1A1 (0.49) RAB9ASLC13A5CYP3A4ALDH1A1CYP1A2
Piperonylic Acid SCHEMBL3936749 0.78 ALDH1A1 (0.73) RAB9ACYP3A4ALDH1A1CYP1A2CYP2C19

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 RAB9A 3268/4885SLC13A5 2507/4885CYP3A4 1396/4885

“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.