SCHEMBL3586954

SCHEMBL3586954

CC(C)CCC(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PDE2A O00408 4/20 0.42
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
RIPK1 Q13546 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
SCHEMBL2763340 0.83 HSD11B1 (0.47) HSD11B1CES2CES1PDE2AGRM8
SCHEMBL906186 0.83 HSD11B1 (0.47) HSD11B1CES2CES1PDE2AGRM8
SCHEMBL28691397 0.81 HSD11B1 (0.46) HSD11B1CES2CES1PDE2AALDH1A1
SCHEMBL13285842 0.81 HSD11B1 (0.49) HSD11B1CES2CES1PDE2AGRM8
SCHEMBL13308400 0.81 HSD11B1 (0.49) HSD11B1CES2CES1PDE2AGRM8
SCHEMBL29570765 0.79 SLC6A2 (0.47) HSD11B1CES2CES1PDE2AGRM8
SCHEMBL24302607 0.79 SLC6A4 (0.51) HSD11B1CES2CES1ALDH1A1GRM8
SCHEMBL14614552 0.79 HSD11B1 (0.44) HSD11B1CES2CES1PDE2A
SCHEMBL2271676 0.79 KIF11 (0.46) HSD11B1CES2CES1PDE2APSEN1
SCHEMBL2271672 0.79 KIF11 (0.46) HSD11B1CES2CES1PDE2APSEN1

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-8203004-B2 Tetrahydroindole derivatives for treatment of alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2012-06-19 US disclosed
US-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LIMITED (GB) 2010-01-21 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-20100016308-A1 Tetrahydroindole Derivatives for Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 HSD11B1 116/4885CES2 1101/4885CES1 1368/4885

“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.