SCHEMBL3202019

SCHEMBL3202019

O=C(O)C(S)c1ccccc1.O=C(O)C(S)c1ccccc1.OCC1(CO)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MME P08473 4/20 0.37
ACE2 Q9BYF1 1/20 0.37
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
CNR2 P34972 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 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
SCHEMBL3194531 0.82 CYP2C19 (0.39) GAAMMEKMT2ACNR2CHRM2
SCHEMBL3204396 0.80 NAALAD2 (0.35) GAAKMT2ACYP2D6CNR2CHRM2
Ethylene Glycol SCHEMBL5345328 0.77 SRC (0.48) MMEACE2CYP2D6SRCLMNA
Ethylene Glycol SCHEMBL3208351 0.77 SRC (0.48) MMEACE2CYP2D6SRCLMNA
SCHEMBL74366 0.77 SRC (0.56) MMEACE2CYP2D6SRCLMNA
SCHEMBL3202013 0.77 CTSK (0.41) GAAKMT2ACHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL8340022 0.75 SRC (0.54) GAAMMEACE2CYP2D6SRC
Benzoic Acid SCHEMBL25227095 0.75 TSHR (0.52) KMT2ACYP2D6CNR2LMNA
Benzoic Acid SCHEMBL1713123 0.75 TSHR (0.52) KMT2ACYP2D6CNR2LMNA
Phthalic Acid SCHEMBL11140430 0.75 ALDH1A1 (0.52) KMT2ACNR2

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 GAA 3739/4885MME 4385/4885ACE2 3735/4885

“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.