SCHEMBL12867176

SCHEMBL12867176

COc1cc(CC(C)(C)C)cc(F)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
STAT3 P40763 2/20 0.44
NFE2L2 Q16236 2/20 0.44
PTGES O14684 1/20 0.44
PTGS1 P23219 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TNKS2 Q9H2K2 2/20 0.40
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 0.39
TNKS O95271 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8339781 0.87 AKR1B1 (0.50) ALOX5NFKB1GAAMAPTKDM4E
SCHEMBL8339208 0.87 AKR1B1 (0.49) ALOX5GAAMAPTKDM4ETNKS2
SCHEMBL12866865 0.83 ESR1 (0.46) NFKB1GAAMAPTKDM4ELMNA
SCHEMBL13547936 0.82 CACNA1H (0.37) KDM4EALDH1A1PTGS2
SCHEMBL12866948 0.82 KCNH2 (0.38) ALOX5STAT3NFE2L2NFKB1NFKB2
SCHEMBL16502336 0.80 PTGS2 (0.53) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL12775669 0.79 TRPV1 (0.46) GAAMAPTKDM4ETNKS2AKR1B1
SCHEMBL25791647 0.79 HTR2A (0.34) KDM4EALDH1A1TAAR1TSHRMAPK1
Hydrochloric Acid SCHEMBL30771793 0.77 TAAR1 (0.49) ALOX5STAT3NFE2L2PTGESPTGS1
SCHEMBL10493539 0.77 MAPT (0.62) ALOX5STAT3NFE2L2PTGESPTGS1

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-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 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-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases SNCA, PARK7, HTT ALOX5 2437/4885STAT3 3374/4885NFE2L2 218/4885

“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.