SCHEMBL19971982

SCHEMBL19971982

OCC(CO)(CO)CC(OCC1CO1)(OCC1CO1)OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL311322 0.74 TSHR (0.50) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL6430798 0.74 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL594507 0.71 TSHR (0.57) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL1192277 0.71 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL1537333 0.71 TSHR (0.57) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL311323 0.71 TSHR (0.57) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL12677361 0.71 TSHR (0.57) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL7170116 0.70 ALDH1A1 (0.60) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL1004395 0.69 TSHR (0.55) ALDH1A1TSHRMAPK1TP53CYP3A4
SCHEMBL16296603 0.69 TSHR (0.50) ALDH1A1TSHRMAPK1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180077899-A1 Methods and Compositions for Dag Mitigation INVENTION DEVELOPMENT MANAGEMENT COMPANY, LLC 2018-03-22 US claimed
WO-2018057323-A1 METHODS AND COMPOSITIONS FOR DAG MITIGATION EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2018-03-29 WO 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-20180077899-A1 Methods and Compositions for Dag Mitigation DAGLB, DAGLA, DGAT2 ALDH1A1 1193/4885TSHR 4511/4885MAPK1 4226/4885

“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.