SCHEMBL3209374

SCHEMBL3209374

O=C(O)CCC(S)c1ccccc1.O=C(O)CCC(S)c1ccccc1.O=C(O)CCC(S)c1ccccc1.O=C(O)CCC(S)c1ccccc1.O=C(O)CCC(S)c1ccccc1.O=C(O)CCC(S)c1ccccc1.OCC(CO)(CO)COCC(CO)(CO)CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.37
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CPA3 P15088 1/20 0.36
FOLH1 Q04609 2/20 0.34
MAPK1 P28482 2/20 0.33
TBXAS1 P24557 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
APEX1 P27695 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
SCHEMBL3209366 0.89 ALDH1A1 (0.42) NAALAD2ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL3206596 0.89 ALDH1A1 (0.42) NAALAD2ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL1171448 0.87 GABBR2 (0.39) FFAR1CYP2C19MAPK1NPC1HIF1A
SCHEMBL877952 0.84 CYP2D6 (0.48) NAALAD2ALDH1A1CYP2D6CYP1A2TSHR
SCHEMBL3214208 0.84 RIPK1 (0.38) NAALAD2FFAR1ALDH1A1CYP2D6CYP1A2
Ethylene Glycol SCHEMBL3192561 0.82 CYP2D6 (0.44) NAALAD2FFAR1ALDH1A1CYP2D6CYP1A2
Di(Hydroxyethyl)Ether SCHEMBL3207862 0.82 CYP2D6 (0.42) NAALAD2FFAR1ALDH1A1CYP2D6CYP1A2
SCHEMBL3209353 0.81 MAPK1 (0.41) FFAR1ALDH1A1CYP2D6CYP1A2CYP2C19
SCHEMBL3215205 0.80 MME (0.38) CYP2D6CYP1A2CYP2C19MAPK1KDM4E
SCHEMBL3215253 0.79 NAALAD2 (0.44) NAALAD2FFAR1ALDH1A1CYP2D6CYP1A2

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-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND SHOWA DENKO K.K. (JP) 2010-02-04 US disclosed
EP-2030989-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT AND METHOD FOR PRODUCING THIOL COMPOUND Showa Denko K.K. (JP) 2009-03-04 EP 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-20100029876-A1 POLYMERIZATION ACCELERATOR, CURABLE COMPOSITION, CURED PRODUCT, AND PROCESS FOR PRODUCING THIOL COMPOUND TMT1A, CCNT1, MGMT NAALAD2 951/4885FFAR1 3529/4885ALDH1A1 124/4885

“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.