SCHEMBL13640498

SCHEMBL13640498

CCCc1cc(CC(C)C(=O)O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
ALOX5 P09917 2/20 0.47
SLC7A5 Q01650 2/20 0.46
BACE1 P56817 1/20 0.44
KDM6B O15054 1/20 0.44
HIF1A Q16665 4/20 0.43
ALOX15 P16050 4/20 0.43
KDM4E B2RXH2 3/20 0.43
RECQL P46063 3/20 0.43
HSD17B10 Q99714 3/20 0.43
USP2 O75604 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
HTR2A P28223 2/20 0.43
PTGS2 P35354 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
EGFR P00533 2/20 0.43
LCK P06239 2/20 0.43
FYN P06241 1/20 0.43
PTGS1 P23219 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
SCHEMBL3664456 0.89 GABRA1 (0.54) GABRA1GABRB2ALOX5SLC7A5BACE1
SCHEMBL21944366 0.88 GABRA1 (0.50) GABRA1GABRB2ALOX5SLC7A5BACE1
SCHEMBL5168024 0.82 GABRA1 (0.73) GABRA1GABRB2ALOX5BACE1HIF1A
SCHEMBL13640499 0.81 PPARA (0.56) GABRA1GABRB2ALOX5ALOX15PPARG
SCHEMBL1755353 0.80 KDM6B (0.66) ALOX5SLC7A5KDM6BHIF1AALOX15
SCHEMBL17211513 0.80 KDM6B (0.66) ALOX5SLC7A5KDM6BHIF1AALOX15
SCHEMBL17414653 0.80 KDM6B (0.66) ALOX5SLC7A5KDM6BHIF1AALOX15
SCHEMBL30388652 0.80 KDM6B (0.66) ALOX5SLC7A5KDM6BHIF1AALOX15
SCHEMBL8419816 0.79 GABRA1 (0.49) GABRA1GABRB2ALOX5SLC7A5KDM6B
SCHEMBL6559232 0.79 HPGD (0.61) ALOX5BACE1HIF1AKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283490-A1 System, Device and Method for Preparing Tracers and Transferring Materials During Radiosynthesis SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-08 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-20120283490-A1 System, Device and Method for Preparing Tracers and Transferring Materials During Radiosynthesis TERT, VHL, REV1 GABRA1 4207/4885GABRB2 4714/4885ALOX5 3704/4885

“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.