SCHEMBL3659452

SCHEMBL3659452

CC(C)CC(C(=O)OCC1CC1)c1cc(OCC2CC2)c(-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.54
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
SLC6A9 P48067 1/20 0.38
CNR1 P21554 1/20 0.38
MGLL Q99685 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
SSTR5 P35346 1/20 0.36
BACE1 P56817 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
ACACB O00763 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
SCHEMBL16488452 0.96 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3659869 0.92 APP (0.62) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL10301252 0.85 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3714638 0.82 APP (0.55) APPFFAR4PTGDR2ACACBCNR2
SCHEMBL8031372 0.81 APP (0.49) APPAKR1C3AKR1C2FFAR4PTGDR2
SCHEMBL1201218 0.80 APP (0.72) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8044676 0.80 APP (0.59) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3961703 0.79 APP (0.41) APPFFAR4PTGDR2CNR2
SCHEMBL15494189 0.79 APP (0.47) APPFFAR4SSTR5PTGDR2ACACB
SCHEMBL3659554 0.79 CNR2 (0.39) APPCNR1ACACBCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234954-B1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS INC (US) 2015-02-18 EP disclosed
US-20140364641-A1 Tetrasubstituted Benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130165486-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-8367863-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120295981-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2012-11-22 US disclosed
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 US disclosed
EP-2234954-A1 TETRASUBSTITUTED BENZENES Envivo Pharmaceuticals, Inc. (US) 2010-10-06 EP disclosed
US-20090299072-A1 Tetrasubstituted Benzenes EN VIVO PHARMACEUTICALS, INC. 2009-12-03 US disclosed
WO-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 WO 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-20140364641-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 4/4885
US-20090299072-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 4/4885
US-20120295981-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 4/4885
US-20130165486-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 APP 5/4885PSEN1 3/4885PSEN2 4/4885

“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.