SCHEMBL12866865

SCHEMBL12866865

CC(C)(C)Cc1cc(F)c(O)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 4/20 0.38
TSHR P16473 3/20 0.38
LMNA P02545 3/20 0.38
ALOX15 P16050 3/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
BLM P54132 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GMNN O75496 1/20 0.38
GABBR2 O75899 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 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
SCHEMBL12867176 0.83 ALOX5 (0.44) ESR1ALDH1A1MAPK1TSHRLMNA
SCHEMBL6349366 0.81 ESR1 (0.50) ESR1ALDH1A1MAPK1TSHRLMNA
SCHEMBL2600029 0.81 RIPK1 (0.41) ESR1RIPK1THRATHRB
SCHEMBL12866948 0.79 KCNH2 (0.38) ESR1NFKB1
SCHEMBL24419417 0.79 ESR1 (0.38) ESR1
SCHEMBL25039104 0.77 ESR1 (0.37) ESR1
SCHEMBL12446623 0.77 ESR1 (0.52) ESR1ALDH1A1MAPK1LMNAALOX15
SCHEMBL25489234 0.75 GLRA3 (0.37) ESR1MEN1KMT2ARIPK1THRA
SCHEMBL25488430 0.75 ESR1 (0.36) ESR1MEN1CYP3A4KMT2ARIPK1
SCHEMBL25583112 0.75 BLM (0.57) ALDH1A1MAPK1TSHRLMNAALOX15

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 ESR1 3479/4885ALDH1A1 83/4885MAPK1 2949/4885

“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.