SCHEMBL7601226

SCHEMBL7601226

COc1ccc(C#Cc2ccc(C)cc2C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
ALDH1A1 P00352 4/20 0.41
ACACB O00763 3/20 0.41
ERN1 O75460 2/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE4D Q08499 1/20 0.40
ACHE P22303 1/20 0.40
CYP2A6 P11509 1/20 0.40
LMNA P02545 2/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RELA Q04206 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL9881727 0.89 ERN1 (0.51) APPALDH1A1ACACBERN1TRIM24
SCHEMBL28574515 0.81 SRC (0.41) APPALDH1A1ERN1ATMTDP1
SCHEMBL29857390 0.81 SRC (0.41) APPALDH1A1ERN1ATMTDP1
SCHEMBL4765815 0.81 ERN1 (0.49) ALDH1A1ACACBERN1TRIM24TYR
SCHEMBL30134856 0.80 ALDH1A1 (0.53) APPALDH1A1ACACBERN1TRIM24
SCHEMBL312237 0.80 ALDH1A1 (0.53) APPALDH1A1ACACBERN1TRIM24
SCHEMBL6358019 0.80 ERN1 (0.46) ALDH1A1ACACBERN1TRIM24TYR
SCHEMBL10448687 0.75 ACACB (0.50) APPACACBL3MBTL1ACHELMNA
SCHEMBL10525794 0.75 ACHE (0.71) APPALDH1A1ACACBACHELMNA
SCHEMBL26828160 0.73 APP (0.64) APPALDH1A1ACACBTDP1L3MBTL1

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-20150057218-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS INC (US) 2015-02-26 US disclosed
US-8921369-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-12-30 US disclosed
US-8877707-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 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 (4 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-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 APP 4443/4885ALDH1A1 3636/4885ACACB 190/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 APP 4474/4885ALDH1A1 3492/4885ACACB 188/4885
US-20150057218-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 APP 4474/4885ALDH1A1 3492/4885ACACB 188/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 APP 4474/4885ALDH1A1 3492/4885ACACB 188/4885

“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.