SCHEMBL20975307

SCHEMBL20975307

COC(=O)CCCOc1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2C(=O)O)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 3/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL20975309 1.00 KDM4E (0.43) KDM4EL3MBTL1HTTPOLBNPC1
SCHEMBL30706513 0.93 FKBP1A (0.43) KDM4EHTTPOLBNPC1CYP3A4
SCHEMBL21000134 0.93 FKBP1A (0.43) KDM4EHTTPOLBNPC1CYP3A4
SCHEMBL29740475 0.89 TRPV1 (0.41) KDM4EHTTPOLBNPC1CYP3A4
SCHEMBL18575373 0.89 TRPV1 (0.41) KDM4EHTTPOLBNPC1CYP3A4
SCHEMBL23627805 0.89 TRPV1 (0.41) KDM4EHTTPOLBNPC1CYP3A4
SCHEMBL22272706 0.87 KDM4E (0.43) KDM4EHTTPOLBNPC1CYP3A4
SCHEMBL7709759 0.86 KDM4E (0.44) KDM4EL3MBTL1HTTPOLBALDH1A1
SCHEMBL3931727 0.86 KDM4E (0.41) KDM4EHTTPOLBNPC1CYP3A4
SCHEMBL14072136 0.86 KDM4E (0.41) KDM4EHTTPOLBNPC1CYP3A4

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-20240002379-A1 ASYMMETRIC CONJUGATE COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2024-01-04 US disclosed
US-20190144443-A1 ASYMMETRIC CONJUGATE COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2019-05-16 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-20240002379-A1 ASYMMETRIC CONJUGATE COMPOUNDS TUBA1C, MTX2, CCNO KDM4E 3451/4885L3MBTL1 1770/4885HTT 3874/4885
US-20190144443-A1 ASYMMETRIC CONJUGATE COMPOUNDS TUBA1C, MTX2, CCNO KDM4E 3476/4885L3MBTL1 1709/4885HTT 3888/4885

“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.