SCHEMBL3209353

SCHEMBL3209353

O=C(CCC(S)c1ccccc1)OCC(COCC(COC(=O)CCC(S)c1ccccc1)(COC(=O)CCC(S)c1ccccc1)COC(=O)CCC(S)c1ccccc1)(COC(=O)CCC(S)c1ccccc1)COC(=O)CCC(S)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A9 P48067 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3206581 0.96 MAPK1 (0.45) MAPK1HIF1ATDP1LMNACYP2D6
SCHEMBL3214203 0.89 MAPK1 (0.38) MAPK1HIF1ATDP1LMNACYP2D6
SCHEMBL1171444 0.85 MAPK1 (0.44) MAPK1HIF1ALMNACYP2D6CYP1A2
SCHEMBL3192552 0.82 TDP1 (0.53) TDP1LMNACYP2D6CYP1A2PKM
SCHEMBL3209374 0.81 NAALAD2 (0.37) MAPK1HIF1ACYP2D6CYP1A2CYP3A4
SCHEMBL3207848 0.81 TDP1 (0.49) TDP1CYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL1171218 0.80 MAPK1 (0.47) MAPK1HIF1ALMNACYP2D6CYP1A2
SCHEMBL3215191 0.77 MAPK1 (0.47) MAPK1HIF1ALMNACYP2D6CYP1A2
SCHEMBL1303810 0.77 MAPK1 (0.40) MAPK1HIF1ALMNACYP2D6CYP1A2
SCHEMBL3214147 0.75 ALDH1A1 (0.42) TDP1LMNACYP2D6CYP1A2PKM

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 MAPK1 2791/4885HIF1A 1524/4885TDP1 1248/4885

“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.