SCHEMBL3207848

SCHEMBL3207848

O=C(CCC(S)c1ccccc1)OCCOCCOC(=O)CCC(S)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.41
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
KMT2A Q03164 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
APP P05067 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX5 P09917 1/20 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
SCHEMBL3192552 0.95 TDP1 (0.53) TDP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL1171205 0.84 TDP1 (0.43) TDP1KDM4ECHRM2CHRM4CHRM1
SCHEMBL3206581 0.81 MAPK1 (0.45) TDP1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3209353 0.81 MAPK1 (0.41) TDP1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL3214147 0.79 ALDH1A1 (0.42) TDP1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL28272697 0.79 CA12 (0.48) KDM4EKMT2A
SCHEMBL1170967 0.78 TDP1 (0.47) TDP1CHRM2CHRM4CHRM1CHRM3
Di(Hydroxyethyl)Ether SCHEMBL3207862 0.78 CYP2D6 (0.42) KDM4ECHRM2KMT2ACYP1A2CYP2D6
SCHEMBL3214203 0.78 MAPK1 (0.38) TDP1KMT2ACYP1A2CYP2D6SMN1; SMN2
SCHEMBL3212549 0.77 TLR2 (0.37) TDP1KMT2ACYP1A2CYP2D6PKM

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 TDP1 1248/4885KDM4E 1733/4885CHRM2 1756/4885

“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.