SCHEMBL3660772

SCHEMBL3660772

CCOC(=O)C(CC(C)C)(C(=O)OCC)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
THRB P10828 1/20 0.38
FBP1 P09467 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 4/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL13968027 0.94 MAPT (0.36) MAPTTDP1ATMTHRBFBP1
SCHEMBL13968014 0.89 MAPT (0.45) MAPTTDP1THRBSMN1; SMN2ALDH1A1
SCHEMBL3659021 0.87 AR (0.47) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL142931 0.84 ALDH1A1 (0.56) MAPTTDP1ATMTHRBFBP1
SCHEMBL3656444 0.83 MAPT (0.41) MAPTTDP1THRBFBP1SMN1; SMN2
SCHEMBL2429855 0.82 ALDH1A1 (0.44) MAPTTDP1ATMTHRBFBP1
SCHEMBL14035563 0.82 THRB (0.44) MAPTTDP1ATMTHRBFBP1
SCHEMBL142930 0.82 THRB (0.44) MAPTTDP1ATMTHRBFBP1
SCHEMBL30875142 0.82 THRB (0.44) MAPTTDP1ATMTHRBFBP1
SCHEMBL28566529 0.82 ATM (0.43) MAPTTDP1ATMTHRBFBP1

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 19 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-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
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-8367863-B2 Tetrasubstituted benzenes ENVIVO PHARMACEUTICALS, INC. (US) 2013-02-05 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-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
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
WO-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 WO 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 MAPT 41/4885TDP1 148/4885ATM 2897/4885
US-20090299072-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 MAPT 41/4885TDP1 148/4885ATM 2897/4885
US-20120295981-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 MAPT 41/4885TDP1 148/4885ATM 2897/4885
US-20130165486-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 MAPT 41/4885TDP1 148/4885ATM 2897/4885

“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.