SCHEMBL26412447

SCHEMBL26412447

CCOC(=O)c1cc(O)c2ccc(Cl)c(F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
PTPN11 Q06124 2/20 0.45
ALOX5 P09917 5/20 0.44
PTGES O14684 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HCRTR1 O43613 1/20 0.44
HSD17B2 P37059 1/20 0.43
BCL2L1 Q07817 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL24075195 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL26412236 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL16055405 0.78 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL190911 0.77 CA12 (0.72) CA12CA1CA2CA7CA9
SCHEMBL6883641 0.77 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9328767 0.77 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL27433650 0.76 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL30385269 0.76 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL30299161 0.76 BCL2L1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2805615 0.76 BCL2L1 (0.53) CA12CA1CA2CA7CA9

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-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 US disclosed
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 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-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 CA12 4844/4885CA1 4642/4885CA2 4763/4885

“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.