SCHEMBL3196322

SCHEMBL3196322

C=CC(=O)OCC(CC)OC(=O)Nc1ccc(SC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
FPR2 P25090 1/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 1/20 0.37
RCE1 Q9Y256 1/20 0.37
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
DRD4 P21917 1/20 0.36
SLC6A2 P23975 1/20 0.36
CCKAR P32238 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL3203082 0.87 MEN1 (0.48) LMNAALDH1A1MAPTKMT2ARAB9A
SCHEMBL3213908 0.86 TSHR (0.44) LMNAALDH1A1FPR2MAPTKDM4E
SCHEMBL3216473 0.81 ALDH1A1 (0.43) LMNAALDH1A1MAPTKDM4EKMT2A
SCHEMBL3210606 0.79 ALDH1A1 (0.44) LMNAALDH1A1FPR2MAPTKDM4E
SCHEMBL13872073 0.77 LMNA (0.53) LMNAALDH1A1MAPTKMT2ARAB9A
SCHEMBL2782321 0.76 FPR2 (0.41) LMNAALDH1A1FPR2MAPTKDM4E
SCHEMBL27798955 0.76 ALDH1A1 (0.42) LMNAALDH1A1FPR2MAPTKDM4E
SCHEMBL18094732 0.76 TSHR (0.47) ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL18094787 0.74 TSHR (0.49) ALDH1A1TSHRCYP1A2CYP3A4SMN1; SMN2
SCHEMBL14560814 0.73 SMN1; SMN2 (0.44) LMNAALDH1A1MAPTKDM4EKMT2A

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-8222314-B2 Phenyl isocyanate-based urethane acrylates, processes for producing and methods of using the same BAYER MATERIALSCIENCE AG (DE) 2012-07-17 US disclosed
US-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME BAYER MATERIALSCIENCE AG (DE) 2010-02-11 US 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-20100036013-A1 PHENYL ISOCYANATE-BASED URETHANE ACRYLATES, PROCESSES FOR PRODUCING AND METHODS OF USING THE SAME GRHPR, CBR1, C1S LMNA 1603/4885ALDH1A1 698/4885FPR2 1208/4885

“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.