SCHEMBL2863424

SCHEMBL2863424

CCC(CC)(C(=O)O)C(=O)O.CCC(CC)(C(=O)O)C(=O)O.OCC(CO)(CO)C(O)=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.41
RECQL P46063 1/20 0.39
NR1I2 O75469 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 3/20 0.36
AKR1C1 Q04828 1/20 0.36
CYP2C19 P33261 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.35

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
1,3-Propanediol SCHEMBL4275144 0.94 MEN1 (0.39) MEN1KMT2AAKR1C3RECQLNR1I2
SCHEMBL4275844 0.86 MEN1 (0.40) MEN1KMT2AAKR1C3RECQLNR1I2
SCHEMBL1238436 0.82 ALDH1A1 (0.40) MEN1KMT2AAKR1C3RECQLNR1I2
1,3-Propanediol SCHEMBL2865031 0.75 FBP1 (0.36) MEN1KMT2AAKR1C3RECQLNR1I2
SCHEMBL2221643 0.73 ALDH1A1 (0.39) MEN1KMT2AAKR1C3RECQLNR1I2
SCHEMBL28085114 0.70 ALDH1A1 (0.52) KMT2AALDH1A1TSHRLMNATDP1
Benzene SCHEMBL7029282 0.70 GRM2 (0.32) MEN1KMT2AALDH1A1TSHR
Phenol SCHEMBL10925725 0.70 CA12 (0.46) ALDH1A1CYP3A4LMNATDP1
SCHEMBL1304100 0.70 CYP2A6 (0.38) KMT2AAKR1C3ALDH1A1CYP3A4NPC1
SCHEMBL2362850 0.68 ALDH1A1 (0.39) MEN1KMT2AAKR1C3RECQLNR1I2

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 MEN1 4209/4885KMT2A 4539/4885AKR1C3 939/4885

“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.