SCHEMBL822138

SCHEMBL822138

CCC(O)C(=O)OCCO

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 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
SCHEMBL15623776 0.87 TSHR (0.41) TSHRALDH1A1
SCHEMBL29381090 0.85 ACHE (0.44) ACHEALDH1A1
SCHEMBL28388810 0.83 HCAR2 (0.40) TSHRALDH1A1
SCHEMBL1455849 0.83 HCAR2 (0.40) TSHRALDH1A1
SCHEMBL9636511 0.83 HCAR2 (0.40) TSHRALDH1A1
SCHEMBL2160337 0.83 NAAA (0.41) TSHRALDH1A1
SCHEMBL821952 0.82 ACHE (0.41) ACHETSHRALDH1A1
SCHEMBL17797251 0.81 TSHR (0.43) TSHRALDH1A1
SCHEMBL30010351 0.81 HCAR2 (0.39) TSHRALDH1A1
SCHEMBL28920306 0.81 HCAR2 (0.39) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 US disclosed
US-20140117280-A1 OXYGEN ABSORBER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-05-01 US disclosed
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 US disclosed
US-20110287102-A1 CHAIN EXTENDERS POLYNOVO BIOMATERIALS PTY LIMITED (AU) 2011-11-24 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-20110287102-A1 CHAIN EXTENDERS UMPS, PUF60, SMCHD1 ACHE 4438/4885TSHR 4016/4885ALDH1A1 333/4885

“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.