SCHEMBL20063375

SCHEMBL20063375

CC(C)O[C@@H]1CCCC1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 2/20 0.35

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
SCHEMBL24227079 1.00 PKM (0.39) PKMALDH1A1OPRM1
SCHEMBL20073030 0.96 OPRM1 (0.38) PKMALDH1A1OPRM1
SCHEMBL13087704 0.96 OPRM1 (0.38) PKMALDH1A1OPRM1
SCHEMBL22967699 0.86
SCHEMBL2624890 0.81 ADH1B (0.31)
SCHEMBL12212559 0.79 PKM (0.38) PKMALDH1A1OPRM1
SCHEMBL20096125 0.79 PKM (0.38) PKMALDH1A1OPRM1
SCHEMBL22970027 0.79 PKM (0.38) PKMALDH1A1OPRM1
SCHEMBL18834876 0.79 PKM (0.38) PKMALDH1A1OPRM1
SCHEMBL20248114 0.78

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (2 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-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 PKM 2488/4885ALDH1A1 2867/4885OPRM1 476/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 PKM 2407/4885ALDH1A1 3058/4885OPRM1 482/4885

“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.