SCHEMBL12866887

SCHEMBL12866887

CC(C)Oc1cc(CC(C)(C)C)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.40
TMEM97 Q5BJF2 7/20 0.40
SIGMAR1 Q99720 7/20 0.40
CSNK2A1 P68400 2/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ESR1 P03372 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
CETP P11597 3/20 0.34
P2RX3 P56373 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL8190674 0.81 KCNH2 (0.41) KCNH2TMEM97SIGMAR1CSNK2A1CYP4F2
SCHEMBL8180613 0.81 CSNK2A1 (0.41) KCNH2TMEM97SIGMAR1CSNK2A1CYP4F2
SCHEMBL13547874 0.81 CA2 (0.42) CYP4F2CYP4A11ESR1
SCHEMBL12866848 0.80 KCNH2 (0.47) KCNH2TMEM97SIGMAR1CSNK2A1ESR1
SCHEMBL13547943 0.80 CSNK2A1 (0.49) KCNH2TMEM97SIGMAR1CSNK2A1ESR1
SCHEMBL12867251 0.80 KCNH2 (0.35) KCNH2TMEM97SIGMAR1CSNK2A1RXRA
SCHEMBL8199280 0.79 GABRA1 (0.41) KCNH2TMEM97SIGMAR1CSNK2A1CYP4F2
SCHEMBL13547891 0.78 KCNH2 (0.43) KCNH2TMEM97SIGMAR1CYP4F2CYP4A11
SCHEMBL12866948 0.78 KCNH2 (0.38) KCNH2TMEM97SIGMAR1ESR1RXRA
SCHEMBL13181760 0.75 CSNK2A1 (0.37) KCNH2TMEM97SIGMAR1CSNK2A1CYP4F2

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-20110046160-A1 Novel Class of Spiro Piperidines for the Treatment of Neurodegenerative Diseases PFIZER, INC. 2011-02-24 US disclosed
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 KCNH2 726/4885TMEM97 1020/4885SIGMAR1 1576/4885

“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.