SCHEMBL13640499

SCHEMBL13640499

CCCc1cc(CC(C)C(=O)O)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.56
PPARD Q03181 9/20 0.56
LDHA P00338 1/20 0.52
PPARG P37231 5/20 0.49
STING1 Q86WV6 2/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX5 P09917 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
TUBB1 Q9H4B7 1/20 0.45

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
SCHEMBL12056053 0.90 PPARA (0.59) PPARAPPARDLDHAPPARGSTING1
SCHEMBL21944056 0.89 PPARA (0.58) PPARAPPARDLDHAPPARGSTING1
SCHEMBL18082680 0.82 LDHA (0.76) PPARAPPARDLDHAALOX15TUBB1
SCHEMBL9781691 0.82 LDHA (0.76) PPARAPPARDLDHAALOX15TUBB1
SCHEMBL13640498 0.81 GABRA1 (0.50) PPARAPPARDPPARGALOX15ALOX5
Hydrazine SCHEMBL1648713 0.80 LDHA (0.71) PPARAPPARDLDHAALOX15TUBB1
SCHEMBL26037611 0.78 GABRA1 (0.55) ALOX5GABRA1GABRB2
SCHEMBL6938099 0.78 LDHA (0.60) PPARAPPARDLDHAALOX15TUBB1
SCHEMBL13956396 0.78 PPARA (0.55) PPARAPPARDALOX5GABRA1GABRB2
SCHEMBL10957252 0.78 PPARA (0.52) PPARAPPARDPPARGALOX5GABRA1

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 PPARA 2204/4885PPARD 2846/4885LDHA 2311/4885

“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.