SCHEMBL5410221

SCHEMBL5410221

CC(C)(C)OC(=O)CO[C@H](c1ccccc1)[C@@H](OC1CCCCO1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 5/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL14578291 1.00 SLC6A3 (0.41) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL29191834 0.78 SLC6A3 (0.35) SLC6A3KMT2APTGER4
SCHEMBL5410510 0.75 SLC6A3 (0.44) SLC6A3MEN1KMT2AHPGDGAA
SCHEMBL5410516 0.75 SLC6A3 (0.44) SLC6A3MEN1KMT2AHPGDGAA
SCHEMBL10136515 0.74 SLC6A3 (0.44) SLC6A3MEN1KMT2ATDP1HPGD
SCHEMBL29483744 0.74 SLC6A3 (0.38) SLC6A3MEN1KMT2APTGER4
SCHEMBL21647729 0.74 SLC6A3 (0.38) SLC6A3MEN1KMT2APTGER4
SCHEMBL29191833 0.74 FKBP1A (0.34) SLC6A3MEN1KMT2APTGER4
SCHEMBL21647850 0.74 FKBP1A (0.34) SLC6A3MEN1KMT2APTGER4
SCHEMBL29483738 0.74 FKBP1A (0.34) SLC6A3MEN1KMT2APTGER4

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-7173141-B2 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-02-06 — — US disclosed
US-20060205816-A1 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-09-14 — — 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-20060205816-A1 Chiral lactones HSD11B2, HSD11B1, HSD17B2 SLC6A3 4863/4885MEN1 1104/4885KMT2A 1806/4885

“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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