SCHEMBL29856467

SCHEMBL29856467

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PDK1 Q15118 2/20 0.44
LMNA P02545 1/20 0.44
PTGER4 P35408 1/20 0.42
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
HCAR3 P49019 1/20 0.39

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
SCHEMBL4819821 0.90 KMT2A (0.50) KMT2AALDH1A1POLBKDM4EPKM
SCHEMBL3582306 0.82 MAPT (0.52) KMT2AALDH1A1POLBKDM4EPKM
SCHEMBL8491427 0.82 VCAM1 (0.53) KMT2AALDH1A1POLBPKMSMN1; SMN2
SCHEMBL1304636 0.82 KMT2A (0.60) KMT2AALDH1A1POLBKDM4EPKM
SCHEMBL8443380 0.81 MAPT (0.54) KMT2AALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL12466651 0.80 MAPT (0.53) KMT2AALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL15498664 0.80 ALDH1A1 (0.50) KMT2AALDH1A1POLBKDM4EPKM
SCHEMBL14394686 0.80 ALDH1A1 (0.50) KMT2AALDH1A1POLBKDM4EPKM
SCHEMBL3527609 0.80 ALDH1A1 (0.50) KMT2AALDH1A1POLBKDM4EPKM
SCHEMBL3575526 0.80 GAA (0.47) KMT2AALDH1A1POLBPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435059-B2 AMP-activated protein kinase inhibitors and methods of making and using the same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-10-07 US disclosed
US-20220289707-A1 AMP-ACTIVATED PROTEIN KINASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2022-09-15 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 (2 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-12435059-B2 AMP-activated protein kinase inhibitors and methods of making and using the same PRKAA1, PRKAA2, PRKAG1 KMT2A 3285/4885ALDH1A1 849/4885POLB 2054/4885
US-20220289707-A1 AMP-ACTIVATED PROTEIN KINASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME PRKAA1, PRKAA2, PRKAG1 KMT2A 3285/4885ALDH1A1 849/4885POLB 2054/4885

“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.