SCHEMBL3659869

SCHEMBL3659869

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.62
PSEN1 P49768 3/20 0.48
PSEN2 P49810 3/20 0.48
APH1B Q8WW43 3/20 0.48
NCSTN Q92542 3/20 0.48
APH1A Q96BI3 3/20 0.48
PSENEN Q9NZ42 3/20 0.48
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
SLC6A9 P48067 1/20 0.39
CNR1 P21554 1/20 0.39
BACE1 P56817 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KCNH2 Q12809 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PTGER1 P34995 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
SCHEMBL3659452 0.92 APP (0.54) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL8031372 0.89 APP (0.49) APPAKR1C3AKR1C2FFAR4PTGDR2
SCHEMBL16488452 0.88 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL15494189 0.88 APP (0.47) APPFFAR4KCNH2PTGS1PTGS2
SCHEMBL1201218 0.86 APP (0.72) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL10301252 0.86 APP (0.51) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1203096 0.85 APP (0.72) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3712241 0.82 APP (0.63) APPFFAR4PTGDR2
SCHEMBL8027492 0.81 APP (0.81) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3663575 0.80 APP (0.77) 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 23 patents — showing the first 20. 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-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-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664249-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
WO-2013106328-A1 TETRASUBSTITUTED BENZENES FOR TREATMENT OF EARLY ONSET ALZHEIMER'S DISEASE ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-18 WO disclosed
US-20130165486-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165486-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165486-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20120295981-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2012-11-22 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
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 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
US-20090299072-A1 Tetrasubstituted Benzenes EN VIVO PHARMACEUTICALS, INC. 2009-12-03 US 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.