SCHEMBL26085563

SCHEMBL26085563

Cc1cc2n(c1)CC(O)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.41
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
AGER Q15109 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL26085564 0.57 DRD3 (0.32) DRD3KDM4EMEN1MAPTALOX15
SCHEMBL12241443 0.53 ALDH1A1 (0.38) KDM4EMEN1MAPTALOX15CASP1
SCHEMBL20217190 0.51 ADRB1 (0.47) KDM4EMEN1MAPTALOX15KMT2A
SCHEMBL18811486 0.51
SCHEMBL20158154 0.50
SCHEMBL8405826 0.50
SCHEMBL21827213 0.50
SCHEMBL7339849 0.50
SCHEMBL8536133 0.49
SCHEMBL353917 0.49

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-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 DRD3 4752/4885CYP11B1 2698/4885CYP11B2 3282/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 DRD3 4752/4885CYP11B1 2698/4885CYP11B2 3282/4885

“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.