SCHEMBL21208271

SCHEMBL21208271

CCC(C)(I)C(=O)OCC12CC3CC(C1)C(C)(O)C(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 2/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 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
SCHEMBL18253499 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL18845352 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL18845313 0.79 CYP17A1 (0.36)
SCHEMBL18844985 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL18898003 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL18845354 0.77 ALDH1A1 (0.31) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL18845367 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18844989 0.75 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AL3MBTL1CA12
SCHEMBL19261139 0.75 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL18253458 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA12

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-10591819-B2 Monomer, polymer, resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20190235381-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-08-01 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-20190235381-A1 MONOMER, POLYMER, RESIST COMPOSITION, AND PATTERNING PROCESS H1-2, H1-0, H1-4 ALDH1A1 3022/4885MEN1 551/4885KMT2A 72/4885
US-10591819-B2 Monomer, polymer, resist composition, and patterning process H1-2, H1-0, H1-4 ALDH1A1 2655/4885MEN1 390/4885KMT2A 105/4885

“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.