1,3-Propanediol

1,3-Propanediol

SCHEMBL21406841

CC(O)CCCCO.OCCCO

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 4/20 0.37
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TRPA1 O75762 1/20 0.36
MAPT P10636 1/20 0.34
PSMD14 O00487 2/20 0.32
PLA2G1B P04054 2/20 0.32
MMP2 P08253 2/20 0.32
ATG4B Q9Y4P1 2/20 0.32
HSP90AA1 P07900 1/20 0.32
RAD52 P43351 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
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
SCHEMBL397922 0.97
SCHEMBL3401418 0.97
SCHEMBL41064 0.97
SCHEMBL19411359 0.94 LMNA (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL830579 0.94 LMNA (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL10406986 0.94 LMNA (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
1,6-Hexanediol SCHEMBL15347446 0.94 LMNA (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL428372 0.94 LMNA (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL13202549 0.94 LMNA (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL554360 0.94 LMNA (0.43) TDP1SMN1; SMN2TSHRALDH1A1LMNA

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-11116211-B2 Modification of segmented polyurethane properties by copolymerizing with pendant functionalized diols THE UNIVERSITY OF AKRON (US) 2021-09-14 US disclosed
US-20190297883-A1 Modification of Segmented Polyurethane Properties by Copolymerizing with Pendant Functionalized Diols THE UNIVERSITY OF AKRON 2019-10-03 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 (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-20190297883-A1 Modification of Segmented Polyurethane Properties by Copolymerizing with Pendant Functionalized Diols SMCHD1, PUF60, DNER TDP1 1639/4885SMN1; SMN2 1189/4885TSHR 2204/4885
US-11116211-B2 Modification of segmented polyurethane properties by copolymerizing with pendant functionalized diols SMCHD1, PUF60, DNER TDP1 1639/4885SMN1; SMN2 1189/4885TSHR 2204/4885

“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.