SCHEMBL26202140

SCHEMBL26202140

C[Si](C)(C)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc6c(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc7c(-c7cccc8ccccc78)c6c5)ccc34)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL23789788 0.93 CA12 (0.43) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL16805209 0.90 ESR1 (0.41) ALDH1A1KDM4ETP53SMN1; SMN2HSD17B10
SCHEMBL25579828 0.90 CA12 (0.43) ALDH1A1MAPTPIM1CA12CA1
SCHEMBL24426425 0.90 CA12 (0.43) ALDH1A1MAPTPIM1CA12CA1
SCHEMBL22916721 0.90 CA12 (0.43) ALDH1A1MAPTPIM1CA12CA1
SCHEMBL13697088 0.89 CA12 (0.41) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL126429 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL17935585 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL126261 0.89 ALDH1A1 (0.40) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL23702371 0.89 HSD17B1 (0.44) ALDH1A1MAPTPIM1KDM4ETP53

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-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION LG CHEM, LTD. (KR) 2023-08-31 — — 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-20230271901-A1 METHOD FOR PREPARING DEUTERATED AROMATIC COMPOUND AND DEUTERATED REACTION COMPOSITION AHR, HDHD5, HPD ALDH1A1 3796/4885MAPT 1990/4885PIM1 2538/4885

“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.

Send feedback