1,3-Propanediol

1,3-Propanediol

SCHEMBL2865031

OCC(CO)(CO)C(O)=Cc1ccccc1.OCCCO.OCCCO

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PRMT1 Q99873 1/20 0.35
LMNA P02545 1/20 0.35
AKR1C1 Q04828 1/20 0.34
ESR1 P03372 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.33
NR1I2 O75469 1/20 0.33

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
SCHEMBL1238436 0.92 ALDH1A1 (0.40) FBP1ALDH1A1TSHRAKR1C3CYP3A4
1,3-Propanediol SCHEMBL4275144 0.84 MEN1 (0.39) FBP1ALDH1A1TSHRAKR1C3CYP3A4
SCHEMBL2221643 0.77 ALDH1A1 (0.39) FBP1ALDH1A1TSHRAKR1C3CYP3A4
SCHEMBL2863424 0.75 MEN1 (0.42) ALDH1A1TSHRAKR1C3CYP3A4CYP2C9
SCHEMBL1304100 0.73 CYP2A6 (0.38) ALDH1A1AKR1C3CYP3A4KMT2A
SCHEMBL4275844 0.72 MEN1 (0.40) FBP1ALDH1A1TSHRAKR1C3CYP3A4
1,3-Propanediol SCHEMBL28899413 0.72 TP53 (0.60) FBP1AKR1C3CYP3A4CYP2C9LMNA
SCHEMBL2362850 0.72 ALDH1A1 (0.39) FBP1ALDH1A1TSHRAKR1C3CYP3A4
SCHEMBL17685853 0.69 ALDH1A1 (0.52) ALDH1A1TSHRCYP3A4LMNATP53
SCHEMBL2239657 0.68 FBP1 (0.44) FBP1ALDH1A1TSHRAKR1C3LMNA

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-8318795-B2 Antioxidant polymers containing [1,2]-dithiolane moieties and uses thereof CEDARS-SINAI MEDICAL CENTER (US) 2012-11-27 US disclosed
US-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2010-04-22 US disclosed
EP-2125775-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF Cedars-Sinai Medical Center (US) 2009-12-02 EP disclosed
WO-2008106640-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2008-09-04 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-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF GPX1, GPX4, LPO FBP1 1200/4885ALDH1A1 172/4885TSHR 3898/4885

“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.