SCHEMBL17922894

SCHEMBL17922894

CCC1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CTSK P43235 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ NPC1 O15118 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
SCHEMBL17922893 1.00 HSD17B10 (0.42) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17922929 1.00 HSD17B10 (0.42) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL16031033 0.79 HSD17B10 (0.42) HSD17B10ALDH1A1SMN1; SMN2CTSKHPGD
SCHEMBL16031037 0.79 HSD17B10 (0.42) HSD17B10ALDH1A1SMN1; SMN2CTSKHPGD
SCHEMBL16148112 0.79 HSD17B10 (0.42) HSD17B10ALDH1A1SMN1; SMN2CTSKHPGD
SCHEMBL21408159 0.77 HSD17B10 (0.42) HSD17B10ALDH1A1SMN1; SMN2CTSKHPGD
SCHEMBL24845877 0.76 HSD17B10 (0.39) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL27172955 0.76 HSD17B10 (0.39) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26248934 0.76 SMN1; SMN2 (0.37) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL18740754 0.76 NR1H2 (0.37) HSD17B10ALDH1A1SMN1; SMN2MEN1KMT2A

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-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-04 — — US disclosed
EP-3045448-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2016-07-20 — — EP 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-20160221948-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4, HRH4 HSD17B10 1292/4885ALDH1A1 2734/4885SMN1; SMN2 1489/4885

“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.

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