SCHEMBL20258124

SCHEMBL20258124

Cc1cc(C(C)C)c(C)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
MAP4K4 O95819 1/20 0.31
ABL1 P00519 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 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
SCHEMBL12848714 0.77 LMNA (0.33) LMNACA1CA2TRPA1CHRM1
SCHEMBL13487954 0.77 DAO (0.33) LMNAALDH1A1
SCHEMBL9094120 0.75
SCHEMBL9093473 0.75 EZH2 (0.33)
SCHEMBL9093911 0.75
SCHEMBL18080324 0.72 PDE3B (0.40) LMNAGAAL3MBTL1CHEK1AURKA
SCHEMBL6090233 0.70 CHEK1 (0.36) CA1L3MBTL1CHEK1AURKAMAP4K4
SCHEMBL24550342 0.69 PDE3B (0.38) LMNAGAAL3MBTL1CHEK1AURKA
SCHEMBL3579630 0.69 FABP3 (0.42) GABRA1GABRB1
SCHEMBL15668894 0.68

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
WO-2023133375-A1 MACROCYCLIC COMPOUNDS AND USE AS KINASE INHIBITORS BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-07-13 WO disclosed
US-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-06-14 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-20180162862-A1 INHIBITORS OF BACTERIAL GLYCOSYL TRANSFERASES SI, UGGT1, ALPI LMNA 3664/4885CA1 892/4885CA2 758/4885

“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.