SCHEMBL3653642

SCHEMBL3653642

CCOC(=O)C(CC(C)C)c1cc(F)c([N+](=O)[O-])cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GPR174 Q9BXC1 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL3658328 0.84 CYP1A2 (0.43) MAPTKMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL13532049 0.83 MAPT (0.45) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL3661743 0.81 AKR1C3 (0.42) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL15112492 0.77 MAPT (0.41) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL5150294 0.76 AKR1C3 (0.44) MAPTKMT2AMEN1CYP1A2SMN1; SMN2
SCHEMBL4878427 0.75 MAPT (0.40) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL3663475 0.74 GPR174 (0.37) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL7744963 0.74 ALDH1A1 (0.42) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL25352364 0.74 ALDH1A1 (0.53) MAPTKMT2AMEN1CYP1A2CYP2C9
SCHEMBL13968017 0.73 TSHR (0.43) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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-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-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 41/4885KMT2A 2693/4885MEN1 4444/4885
US-20090299072-A1 Tetrasubstituted Benzenes BACE1, BACE2, PSEN1 MAPT 41/4885KMT2A 2693/4885MEN1 4444/4885
US-20120295981-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 MAPT 41/4885KMT2A 2693/4885MEN1 4444/4885
US-20130165486-A1 TETRASUBSTITUTED BENZENES BACE1, BACE2, PSEN1 MAPT 41/4885KMT2A 2693/4885MEN1 4444/4885

“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.