SCHEMBL24926410

SCHEMBL24926410

COc1cccc(OC)c1OC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.53
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
GAA P10253 1/20 0.45
NFE2L2 Q16236 2/20 0.45
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL12618370 0.82 ELANE (0.65) ELANECA12CA1CA2CA7
SCHEMBL18826338 0.81 ELANE (0.54) ELANECA12CA1CA2CA7
SCHEMBL9642741 0.81 ELANE (0.43) ELANECA12CA1CA2CA7
SCHEMBL1954243 0.79 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL19558330 0.79 ELANE (0.51) ELANECA12CA1CA2CA7
SCHEMBL20306504 0.78 ELANE (0.54) ELANEALDH1A1KDM4ELMNATP53
SCHEMBL16237294 0.78 ELANE (0.59) ELANECA12CA1CA2CA7
SCHEMBL17938475 0.78 ELANE (0.54) ELANESMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL9791378 0.78 ELANE (0.46) ELANECA12CA1CA2CA7
SCHEMBL3755885 0.78 MAPK1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230029131-A1 RECOVERY OF MONOMERIC AND OLIGOMERIC BUILDING BLOCKS FROM POLYMERIC MATERIALS ALIGN TECHNOLOGY, INC. 2023-01-26 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-20230029131-A1 RECOVERY OF MONOMERIC AND OLIGOMERIC BUILDING BLOCKS FROM POLYMERIC MATERIALS BLM, PICALM, SMCHD1 ELANE 2773/4885CA12 4795/4885CA1 4569/4885

“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.