SCHEMBL12867296

SCHEMBL12867296

CC(C)Cc1cc(CC(C)(C)C)ccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.71
GABRB2 P47870 2/20 0.71
ESR1 P03372 3/20 0.46
ALOX15 P16050 5/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 5/20 0.42
ALOX12 P18054 4/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 4/20 0.42
MEN1 O00255 3/20 0.42
RECQL P46063 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 3/20 0.42
POLB P06746 3/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
PTGS2 P35354 3/20 0.42
USP2 O75604 3/20 0.42

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
SCHEMBL10711420 0.83 ESR1 (0.54) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL318750 0.83 GABRA1 (1.00) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL7922257 0.82 GABRA1 (0.81) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL5164953 0.81 GABRA1 (0.73) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL6341702 0.81 ALOX15 (0.67) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL6341699 0.81 ALOX15 (0.67) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL5167205 0.80 GABRA1 (0.79) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL4460242 0.79 ALOX5 (0.54) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL28916258 0.79 GABRA1 (0.89) GABRA1GABRB2ESR1ALOX15KDM4E
SCHEMBL21785848 0.78 GABRA1 (0.55) GABRA1GABRB2ESR1ALOX15KDM4E

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 GABRA1 1390/4885GABRB2 1478/4885ESR1 3479/4885

“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.