SCHEMBL12866848

SCHEMBL12866848

CC(C)Oc1cc(CC(C)(C)C)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.47
TMEM97 Q5BJF2 8/20 0.47
SIGMAR1 Q99720 8/20 0.47
FOS P01100 1/20 0.46
TTR P02766 1/20 0.46
JUN P05412 1/20 0.46
NR3C1 P04150 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
ESR1 P03372 1/20 0.44
ALOX15 P16050 2/20 0.43
ALOX12 P18054 2/20 0.43
MMP1 P03956 1/20 0.41
CYP3A4 P08684 1/20 0.41
TAAR1 Q96RJ0 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
CSNK2A1 P68400 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
SCHEMBL12881766 0.81 CNR1 (0.55) KCNH2TMEM97SIGMAR1FOSTTR
SCHEMBL12327573 0.81 TRPA1 (0.53) KCNH2TMEM97SIGMAR1FOSTTR
SCHEMBL8342475 0.81 TAAR1 (0.61) FOSTTRJUNNR3C1HSD17B1
SCHEMBL12866887 0.80 KCNH2 (0.40) KCNH2TMEM97SIGMAR1ESR1CSNK2A1
SCHEMBL13547943 0.80 CSNK2A1 (0.49) KCNH2TMEM97SIGMAR1ESR1LMNA
SCHEMBL26274400 0.79 CSNK2A1 (0.60) KCNH2TMEM97SIGMAR1FOSTTR
SCHEMBL13053303 0.79 KCNH2 (0.48) KCNH2TMEM97SIGMAR1FOSTTR
SCHEMBL7716660 0.78 ALDH1A1 (0.54) ESR1ALOX15TAAR1TSHRMAPK1
SCHEMBL12776025 0.78 CSNK2A1 (0.40) KCNH2TMEM97SIGMAR1ESR1TSHR
SCHEMBL13963701 0.74 PDE10A (0.48) FOSTTRJUNNR3C1HSD17B1

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-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 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 (2 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-20130150376-A1 Novel Sultam Compounds SULT2A1, SULT1A1, SULT1E1 KCNH2 3499/4885TMEM97 1777/4885SIGMAR1 217/4885
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.