SCHEMBL16056331

SCHEMBL16056331

COc1ccc(CCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
PDE4B Q07343 2/20 0.48
PDE4A P27815 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
PDE5A O76074 1/20 0.45
KCNH2 Q12809 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9523677 0.88 KMT2A (0.60) KMT2ABCL9CTNNB1ALDH1A1SMN1; SMN2
SCHEMBL7326412 0.81 HDAC1 (0.58) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL9272449 0.79 ALDH1A1 (0.57) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL7397257 0.79 KMT2A (0.56) KMT2APDE4BALDH1A1SMN1; SMN2LMNA
SCHEMBL7363656 0.78 KCNH2 (0.47) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL7420231 0.78 HDAC1 (0.53) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL7335293 0.77 PDE4A (0.58) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL7324348 0.77 PDE4B (0.56) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL8157358 0.77 HDAC1 (0.56) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL7367293 0.77 EPHX2 (0.55) KMT2APDE4BALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-04-19 US disclosed
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2022-04-19 US disclosed
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS UNIV NANYANG TECH (SG) 2019-11-07 US disclosed
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS UNIV NANYANG TECH (SG) 2019-11-07 US disclosed
US-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 US disclosed
US-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 US disclosed
US-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 US disclosed
WO-2014142755-A1 ACTIVATION OF CARBONYL β-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-09-18 WO disclosed
WO-2014142755-A1 ACTIVATION OF CARBONYL β-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-09-18 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 (3 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-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT KMT2A 3146/4885PDE4B 1513/4885PDE4A 1813/4885
US-20190337955-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT KMT2A 3146/4885PDE4B 1513/4885PDE4A 1813/4885
US-11306097-B2 Activation of carbonyl beta-carbons for chemical transformations CBR1, CBR3, CAT KMT2A 3146/4885PDE4B 1513/4885PDE4A 1813/4885

“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.