SCHEMBL31047712

SCHEMBL31047712

CC1(C)OC[C@H](C(=O)OCc2ccccc2)O1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
TSHR P16473 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
ELANE P08246 3/20 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
SCHEMBL11617650 1.00 ALDH1A1 (0.49) ALDH1A1GAAPKMTMEM97SIGMAR1
SCHEMBL21416562 0.86 ALDH1A1 (0.46) ALDH1A1GAAPKMTMEM97SIGMAR1
SCHEMBL29418686 0.84 ALDH1A1 (0.46) ALDH1A1GAAPKMSIGMAR1TSHR
SCHEMBL11618583 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL9236592 0.83 ALDH1A1 (0.51) ALDH1A1GAAPKMTSHRFABP7
SCHEMBL16837877 0.81 ALDH1A1 (0.46) ALDH1A1GAAPKMTSHRFABP7
SCHEMBL32677624 0.81 FABP7 (0.49) ALDH1A1GAAPKMTMEM97SIGMAR1
SCHEMBL25910600 0.80 F2 (0.43) ALDH1A1GAAPKMTMEM97SIGMAR1
SCHEMBL19749101 0.79 ALDH1A1 (0.52) ALDH1A1GAATSHRFABP7FABP5
SCHEMBL29433900 0.79 ALDH1A1 (0.52) ALDH1A1GAATSHRFABP7FABP5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124317-A2 Antibody Drug Conjugates BEONE MEDICINES I GMBH (CH) 2026-05-07 US disclosed
US-20250135026-A1 Antibody Drug Conjugates BEIGENE SWITZERLAND GMBH (CH) 2025-05-01 US disclosed
CN-118450907-A Antibody drug conjugates 百济神州有限公司 2024-08-06 CN 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-20260124317-A2 Antibody Drug Conjugates SLC3A2, SLC7A1, SLC43A1 ALDH1A1 1744/4885GAA 2040/4885PKM 2740/4885
US-20250135026-A1 Antibody Drug Conjugates CD22, FCGR2A, FCGR3B ALDH1A1 403/4885GAA 399/4885PKM 4253/4885

“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.