SCHEMBL3089593

SCHEMBL3089593

CC(S)CC(=O)O.CC(S)CC(=O)O.OC1(O)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.38
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.30

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
SCHEMBL3082575 0.81 MME (0.36) MMECYP2C19ALDH1A1LMNACYP1A2
SCHEMBL3088957 0.81 CACNA2D1 (0.39) MMECYP2C19ALDH1A1LMNACYP1A2
SCHEMBL3095007 0.81 FOLH1 (0.39) MMECYP2C19LMNACYP1A2MAPT
SCHEMBL3089576 0.79 MME (0.38) MMECYP2C19ALDH1A1LMNATSHR
SCHEMBL98745 0.78
SCHEMBL20966262 0.78
SCHEMBL8612540 0.78
Methyl Alcohol SCHEMBL30549331 0.76 SLC22A6 (0.43) ALDH1A1LMNACYP1A2TSHRCACNA2D1
Hydrochloric Acid SCHEMBL7707568 0.76
Methane SCHEMBL17765086 0.76 SLC22A6 (0.43) ALDH1A1LMNACYP1A2TSHRCACNA2D1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283095-B2 Thiourethane compound and photosensitive resin composition SHOWA DENKO K.K. (JP) 2012-10-09 US disclosed
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION SHOWA DENKO K.K. (JP) 2010-09-16 US disclosed
EP-2055726-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Showa Denko K.K. (JP) 2009-05-06 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-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION RCOR3, CBR3, TAS2R3 MME 4643/4885CYP2C19 1021/4885ALDH1A1 1341/4885

“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.