SCHEMBL26580977

SCHEMBL26580977

Cc1cc(OCCN2CCCCC2)cc(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
PSMB1 P20618 4/20 0.54
PSMB5 P28074 4/20 0.54
PSMB2 P49721 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
HRH3 Q9Y5N1 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
LTA4H P09960 1/20 0.51
ALDH1A1 P00352 1/20 0.51
BACE1 P56817 1/20 0.51

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
SCHEMBL1250416 0.85 KDM4E (0.58) KDM4ESMN1; SMN2ESR1ESR2TDP1
SCHEMBL26038140 0.84 KDM4E (0.66) KDM4ESMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL23771799 0.83 LTA4H (0.53) KDM4ESMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL13091445 0.81 KDM4E (0.71) KDM4ESMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL1251462 0.81 KDM4E (0.55) KDM4ESMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL14100107 0.80 KDM4E (0.64) KDM4EPSMB1PSMB5PSMB2ESR1
SCHEMBL13849370 0.79 SMN1; SMN2 (0.63) KDM4ESMN1; SMN2PSMB1PSMB5PSMB2
SCHEMBL19309962 0.78 KDM4E (0.66) KDM4ESMN1; SMN2ESR1ESR2HRH3
SCHEMBL2326590 0.78 KDM4E (0.66) KDM4ESMN1; SMN2ESR1ESR2HRH3
SCHEMBL82435 0.77 HRH3 (0.73) KDM4EPSMB1PSMB5PSMB2HRH3

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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885SMN1; SMN2 1682/4885PSMB1 2100/4885

“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.