SCHEMBL16218403

SCHEMBL16218403

CCC(CC)(CC=O)CC=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL2151852 0.93 ALDH1A1 (0.41) ALDH1A1MAPK1TDP1TSHR
SCHEMBL3519677 0.83 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL21925348 0.83 ALDH1A1 (0.35) ALDH1A1MAPK1TDP1TSHR
SCHEMBL3133315 0.83 ALDH1A1 (0.35) ALDH1A1MAPK1TDP1TSHR
SCHEMBL7119977 0.83 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL17715106 0.81 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1TSHR
SCHEMBL271230 0.71
SCHEMBL2151814 0.71
SCHEMBL16218410 0.69 ALDH1A1 (0.32) ALDH1A1MAPK1TDP1
SCHEMBL6907056 0.69 ALDH1A1 (0.37) ALDH1A1MAPK1TDP1

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-9327034-B2 Branched polyethylene glycol and use thereof UNIVERSITY OF TSUKUBA, A JAPANESE NATIONAL UNIVERSITY (JP) 2016-05-03 US disclosed
US-20140329290-A1 NOVEL BRANCHED POLYETHYLENE GLYCOL AND USE THEREOF UNIVERSITY OF TSUKUBA, A JAPANESE NATIONAL UNIVERSITY (JP) 2014-11-06 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-20140329290-A1 NOVEL BRANCHED POLYETHYLENE GLYCOL AND USE THEREOF FGF2, HDGF, HSD17B14 ALDH1A1 340/4885MAPK1 2674/4885TDP1 4476/4885

“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.