SCHEMBL27341845

SCHEMBL27341845

CC(C)(C)OC(=O)N1CCC[C@@H](CO)[C@@H]1CO

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.41
HCRTR2 O43614 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL27341843 1.00 HSD17B10 (0.47) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1
SCHEMBL27341841 1.00 HSD17B10 (0.47) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1
SCHEMBL27341846 1.00 HSD17B10 (0.47) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1
SCHEMBL23252417 0.93 ALDH1A1 (0.46) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1
SCHEMBL22043107 0.93 ALDH1A1 (0.46) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1
SCHEMBL22356678 0.89 ALDH1A1 (0.44) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1
SCHEMBL20273228 0.89 ALDH1A1 (0.44) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1
SCHEMBL24326401 0.88 HSD17B10 (0.43) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20281885 0.86 HSD17B10 (0.46) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1
SCHEMBL12524284 0.86 HSD17B10 (0.46) HSD17B10ALDH1A1SMN1; SMN2NR1H2MEN1

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-20240207414-A1 DISULFIDE-BASED PRODRUG COMPOUND LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2024-06-27 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-20240207414-A1 DISULFIDE-BASED PRODRUG COMPOUND CBS, MSR1, P4HB HSD17B10 248/4885ALDH1A1 245/4885SMN1; SMN2 3375/4885

“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.