SCHEMBL23645571

SCHEMBL23645571

CC(C)(C)Cc1ccc2c(n1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.43
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL23645569 0.86 RAB9A (0.34) MBOAT4
SCHEMBL12329716 0.80 MBOAT4 (0.46) MBOAT4ITGB2ICAM1ITGALGRM5
SCHEMBL30640206 0.77 NOTUM (0.43) MBOAT4ITGB2ICAM1ITGALGRM5
SCHEMBL2799966 0.77 MBOAT4 (0.43) MBOAT4ITGB2ICAM1ITGALGRM5
SCHEMBL2437595 0.77 NOTUM (0.43) MBOAT4ITGB2ICAM1ITGALGRM5
SCHEMBL24654854 0.76 GRM1 (0.33) GRM5
SCHEMBL12299456 0.73 MBOAT4 (0.37) MBOAT4ITGB2ICAM1ITGAL
SCHEMBL2431316 0.71 PTGS1 (0.43) MBOAT4GRM5
SCHEMBL2437485 0.71 CYP3A4 (0.43) MBOAT4GRM5
SCHEMBL2440894 0.70 SMN1; SMN2 (0.44) MBOAT4

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-20230072683-A1 PYRIDO-PYRIMIDIN DERIVATIVES AND PHARMACEUTICAL COMPOSITION, FOR USE IN PREVENTING OR TREATING PI3 KINASE RELATED DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT BORYUNG PHARMACEUTICAL CO., LTD. (KR) 2023-03-09 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 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-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP MBOAT4 2253/4885ITGB2 4566/4885ICAM1 2561/4885
US-20230072683-A1 PYRIDO-PYRIMIDIN DERIVATIVES AND PHARMACEUTICAL COMPOSITION, FOR USE IN PREVENTING OR TREATING PI3 KINASE RELATED DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT PIK3CA, PDXK, PIK3CD MBOAT4 4700/4885ITGB2 4098/4885ICAM1 4592/4885

“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.