SCHEMBL5163591

SCHEMBL5163591

O=C(O)C(CCO)(CCO)CCO

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ARG2 P78540 2/20 0.35
ARG1 P05089 1/20 0.35
CAMK2A Q9UQM7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32

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
Acetic Acid SCHEMBL8710068 0.91 FFAR3 (0.39) ARG2ARG1ALDH1A1TSHR
SCHEMBL3080191 0.88 ARG1 (0.33) ARG2ARG1
SCHEMBL5164573 0.87 KDM4C (0.33) ARG2ARG1ALDH1A1
SCHEMBL2354062 0.87 CAMK2A (0.42) ARG2ARG1CAMK2AALDH1A1TSHR
SCHEMBL1049552 0.83 ALDH1A1 (0.42) ARG2ARG1CAMK2AALDH1A1TSHR
SCHEMBL8995129 0.83 ODC1 (0.35) ARG2ARG1
SCHEMBL8571461 0.83 CYP4F2 (0.41) ARG2ARG1ALDH1A1TSHR
SCHEMBL692369 0.83 CYP4F2 (0.41) ARG2ARG1ALDH1A1TSHR
SCHEMBL812765 0.83 CAMK2A (0.50) CAMK2AALDH1A1TSHR
SCHEMBL11415097 0.83 ALDH1A1 (0.38) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111630019-A Curable organopolysiloxane composition 瓦克化学股份公司 2020-09-04 CN disclosed
EP-1582548-B1 PROCESS FOR PRODUCING POLYMERIZABLE POLYBRANCHED POLYESTER DAINIPPON INK & CHEMICALS (JP) 2007-03-28 EP disclosed
US-7141642-B2 Process for producing polymerizable polybranched polyester DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-11-28 US disclosed
US-20060047140-A1 Process for producing polymerizable polybranched polyester DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-03-02 US disclosed
EP-1582548-A1 PROCESS FOR PRODUCING POLYMERIZABLE POLYBRANCHED POLYESTER DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-05 EP disclosed
US-5830999-A CARBOXYLIC LIGANDS, HEXAMERS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-11-03 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-20060047140-A1 Process for producing polymerizable polybranched polyester ACSL4, ACSL1, HACL2 ARG2 4229/4885ARG1 4500/4885CAMK2A 3249/4885

“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.