SCHEMBL22005806

SCHEMBL22005806

CC(C)(C)NCCCOc1ccc2oc(C(C)(C)CCC(C)(C)NCCCOc3ccc4oc(C(C)(C)C)cc4c3)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOB P27338 7/20 0.36
MAOA P21397 3/20 0.36
POLB P06746 1/20 0.35
CA4 P22748 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGB3 P05106 1/20 0.31

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
SCHEMBL20234211 0.99 KDM4E (0.38) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL22692183 0.91 MAOB (0.34) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL18611618 0.90 KDM4E (0.43) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL19959021 0.86 KDM4E (0.48) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL19963631 0.85 MKNK1 (0.36) KDM4EALDH1A1MAOBMAOAMKNK1
SCHEMBL18611949 0.81 MKNK1 (0.36) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL20235057 0.80 TAS1R3 (0.32) LMNA
SCHEMBL20133333 0.77 KDM4E (0.44) KDM4EALDH1A1MAOBMAOAPOLB
SCHEMBL24788343 0.75 MAOB (0.41) MAOBMAOACA4CA12CA1
SCHEMBL20443286 0.74 MKNK1 (0.34) KDM4EALDH1A1MAOBMAOAMKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2020-05-21 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-20200155690-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 KDM4E 1613/4885ALDH1A1 3671/4885MAOB 2964/4885

“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.