SCHEMBL13801653

SCHEMBL13801653

CCCCc1cc(CCCC)c(NC2CCCCC2)cc1NC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA3 P07451 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA4 P22748 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
CA5B Q9Y2D0 2/20 0.39
EPHX1 P07099 5/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL2973035 0.88 ALOX15 (0.40) CA12CA1CA2CA3CA6
SCHEMBL19118720 0.83 HDAC8 (0.36) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL7532688 0.76 KDM4E (0.49) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL4471133 0.75 KDM4E (0.39) ALOX15MAPTKDM4EGAA
SCHEMBL1907517 0.70 EPHX1 (0.60) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL11847765 0.69 ALDH1A1 (0.46) ALOX15MAPTKDM4EGAA
SCHEMBL13801608 0.69 KDM4E (0.47) CNR1CNR2EPHX1ALOX15EPHX2
SCHEMBL24988867 0.68 PYGL (0.33) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL13801822 0.67 HDAC8 (0.42) ALOX15MAPTKDM4EGAATP53
SCHEMBL11682168 0.66 TYR (0.50) ALOX15MAPTTP53

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
WO-2009076091-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 US disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 US 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 (1 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-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME BBOX1, ABHD5, BRD1 PDE4A 3104/4885PDE4B 3040/4885PDE4C 2871/4885

“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.