SCHEMBL21820754

SCHEMBL21820754

CC(C)(C)Oc1ccc(C(CC2CCCC2)C(=O)O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.46
▸ PSEN1 P49768 1/20 0.46
▸ PSEN2 P49810 1/20 0.46
▸ APH1B Q8WW43 1/20 0.46
▸ NCSTN Q92542 1/20 0.46
▸ APH1A Q96BI3 1/20 0.46
▸ PSENEN Q9NZ42 1/20 0.46
▸ KCNH2 Q12809 2/20 0.43
▸ GCK P35557 7/20 0.40
▸ SLC6A3 Q01959 2/20 0.38
▸ PPARG P37231 1/20 0.36
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ PTGDR Q13258 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.35

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
SCHEMBL21820769 0.88 SLC6A3 (0.46) KCNH2GCKSLC6A3
SCHEMBL1859326 0.82 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1859328 0.82 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2645824 0.81 SLC6A3 (0.48) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1171465 0.80 KCNH2 (0.63) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1171463 0.80 KCNH2 (0.63) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2646112 0.79 ACHE (0.48) —
SCHEMBL1171349 0.79 KCNH2 (0.62) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1171354 0.79 KCNH2 (0.62) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1171353 0.79 KCNH2 (0.62) APPPSEN1PSEN2APH1BNCSTN

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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 — — 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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR APP 2002/4885PSEN1 4392/4885PSEN2 4210/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR APP 2002/4885PSEN1 4392/4885PSEN2 4210/4885

“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.

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