SCHEMBL3663475

SCHEMBL3663475

CC(C)CC(C(=O)OCC1CC1)c1cc(OCC2CC2)c([N+](=O)[O-])cc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 4/20 0.37
CNR2 P34972 5/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
CYP19A1 P11511 1/20 0.33
ACACB O00763 2/20 0.33

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
SCHEMBL10301250 0.85 ALDH1A1 (0.36) GPR174CNR2MAPTCYP1A2CYP2C9
SCHEMBL3661288 0.83 DHFR (0.40) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3659554 0.83 CNR2 (0.39) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3659424 0.81 PDE4B (0.42) CNR2MAPTMEN1KMT2APDE4A
SCHEMBL16488433 0.80 CNR2 (0.39) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL3659452 0.76 APP (0.54) CNR2APPACACB
SCHEMBL3657862 0.76 PDE4B (0.41) CNR2MAPTMEN1KMT2APDE4A
SCHEMBL3653642 0.74 MAPT (0.42) GPR174MAPTMEN1CYP1A2CYP2C9
SCHEMBL15111224 0.74 APP (0.45) CNR2MAPTMEN1KMT2APDE4A
SCHEMBL15111461 0.73 APP (0.42) CNR2PDE4APDE4BPDE4CPDE4D

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
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
CN-101945848-A Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS INC 2011-01-12 CN 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 GPR174 763/4885CNR2 527/4885MAPT 41/4885
US-20090299072-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 GPR174 763/4885CNR2 527/4885MAPT 41/4885
US-20120295981-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 GPR174 763/4885CNR2 527/4885MAPT 41/4885
US-20130165486-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 GPR174 763/4885CNR2 527/4885MAPT 41/4885

“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.