SCHEMBL21131970

SCHEMBL21131970

CC(C)[C@@H](C)N(CCO)CCO

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6326627 0.75 MAPT (0.42) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL79660 0.75 MAPT (0.42) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL12188761 0.74 MAPT (0.43) MAPT
SCHEMBL12790540 0.73 MAPT (0.40) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL27274508 0.73 FDPS (0.39)
SCHEMBL13417410 0.73 FDPS (0.39)
SCHEMBL2058214 0.73 MAPT (0.40) MAPTMEN1KMT2AALDH1A1TSHR
Water SCHEMBL3302021 0.73 MAPT (0.40) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL21793424 0.72 MAPT (0.31) MAPTMEN1KMT2A
SCHEMBL11787058 0.72 MAPT (0.35) MAPTTSHR

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-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF QUADRIGA BIOSCIENCES, INC. 2019-06-20 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-20190185413-A1 BETA-SUBSTITUTED BETA-AMINO ACIDS AND ANALOGS AS CHEMOTHERAPEUTIC AGENTS AND USES THEREOF SLC3A2, SLC7A1, SLC43A1 MAPT 1800/4885MEN1 3165/4885KMT2A 3614/4885

“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.