SCHEMBL15675466

SCHEMBL15675466

CC(C)(C)c1cc(C=O)c(O)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.42
▸ ERN1 O75460 8/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ TOP2A P11388 1/20 0.35
▸ CA1 P00915 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
SCHEMBL15674690 0.87 ERN1 (0.36) ERN1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL15675097 0.85 PTPN5 (0.43) ERN1AKR1C3AKR1C2TOP2AMAPT
SCHEMBL15675073 0.84 TRPV1 (0.40) ERN1KIF11AKR1C2TRPV1
SCHEMBL13376109 0.84 ERN1 (0.41) ERN1BACE1
SCHEMBL15674653 0.83 PIK3CA (0.42) ERN1ALOX5APFEN1PIK3CA
SCHEMBL15675356 0.83 ERN1 (0.39) ERN1AKR1C3AKR1C2
SCHEMBL15675543 0.83 ERN1 (0.43) ERN1KIF11
SCHEMBL15675004 0.82 ERN1 (0.40) ERN1KIF11ALOX5APFEN1MAPT
SCHEMBL15674648 0.82 SLC22A12 (0.41) ERN1AKR1C3AKR1C2
SCHEMBL15697798 0.82 ERN1 (0.55) ERN1BACE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296696-B2 Aryl derivatives and uses thereof JACOBUS PHARMACEUTICALS COMPANY, INC. (US) 2016-03-29 — — US disclosed
EP-2917200-A1 ARYL DERIVATIVES AND USES THEREOF Jacobus Pharmaceutical Company, Inc. (US) 2015-09-16 — — EP disclosed
US-20150080324-A1 Aryl Derivatives And Uses Thereof JACOBUS PHARMACEUTICAL COMPANY INC (US) 2015-03-19 — — US disclosed
US-8962657-B2 Aryl derivatives and uses thereof JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2015-02-24 — — US disclosed
WO-2014074778-A1 ARYL DERIVATIVES AND USES THEREOF JACOBUS PHARMACEUTICAL COMPANY, INC. (US) 2014-05-15 — — WO disclosed
US-20140135360-A1 Aryl Derivatives And Uses Thereof Jacobus Pharmaceutical Company, Inc (US) 2014-05-15 — — 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-20140135360-A1 Aryl Derivatives And Uses Thereof G6PD, ABCC1, ABL1 APP 2540/4885ERN1 2065/4885MAOA 782/4885
US-20150080324-A1 Aryl Derivatives And Uses Thereof G6PD, ABCC1, ABL1 APP 2540/4885ERN1 2065/4885MAOA 782/4885

“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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