SCHEMBL13101397

SCHEMBL13101397

COC(=O)CCCCCCCC/C=C/[C@@H]1CSC(c2ccccc2)N1C(=O)CC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TBXAS1 P24557 1/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL13091645 1.00 GAA (0.37) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL13091640 0.87 KLK7 (0.37) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3075369 0.87 KLK7 (0.37) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL13101404 0.87 KLK7 (0.37) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3075365 0.87 KLK7 (0.37) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL11714017 0.80 AKT1 (0.43) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL11714025 0.80 AKT1 (0.43) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL14024599 0.79 KLK7 (0.36) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL13101401 0.79 KLK7 (0.39) GAAFFAR2POLBRAB9A
SCHEMBL3076424 0.79 KLK7 (0.39) GAAFFAR2POLBRAB9A

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-20100266675-A1 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-21 — — 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-20100266675-A1 LIPOPROTEINS, LIPOPEPTIDES AND ANALOGS, AND METHODS FOR MAKING AND USING THEM LIPG, VEGFA, LIPE GAA 1720/4885ALDH1A1 4419/4885MEN1 2383/4885

“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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