SCHEMBL3658905

SCHEMBL3658905

CC(C)c1ccc(-c2cc([C@H](CC3CCC3)C(=O)O)cc(Cl)c2OCC(F)(F)F)cc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.84
PSEN1 P49768 2/20 0.84
PSEN2 P49810 2/20 0.84
APH1B Q8WW43 2/20 0.84
NCSTN Q92542 2/20 0.84
APH1A Q96BI3 2/20 0.84
PSENEN Q9NZ42 2/20 0.84
BDKRB1 P46663 1/20 0.38
AKR1C3 P42330 11/20 0.38
AKR1C2 P52895 11/20 0.38
RARB P10826 1/20 0.36

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
SCHEMBL3654547 1.00 APP (0.84) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3654545 1.00 APP (0.84) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3655430 0.96 APP (0.78) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3655436 0.96 APP (0.78) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3658144 0.96 APP (0.78) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3660255 0.92 PSEN1 (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3713834 0.92 PSEN1 (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3660252 0.92 PSEN1 (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL29549427 0.92 PSEN1 (1.00) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL3660023 0.90 APP (0.80) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217064-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2012-07-10 US claimed
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
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-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.