SCHEMBL3095099

SCHEMBL3095099

O=C(O)CCCS.O=C(O)CCCS.OCC1(CO)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.48
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BLM P54132 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CAMK2A Q9UQM7 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.36
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACE P12821 1/20 0.33
MME P08473 1/20 0.33

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
Mercaptopropionic Acid SCHEMBL258591 0.89 USP2 (0.42) FOLH1LMNACYP1A2SMN1; SMN2TSHR
Mercaptopropionic Acid SCHEMBL995709 0.89 USP2 (0.42) FOLH1LMNACYP1A2SMN1; SMN2TSHR
Adipic Acid SCHEMBL30393650 0.88 LMNA (0.48) FOLH1LMNACYP1A2SMN1; SMN2TSHR
Adipic Acid SCHEMBL4650629 0.88 LMNA (0.48) FOLH1LMNACYP1A2SMN1; SMN2TSHR
Succinic Acid SCHEMBL11437283 0.84 LMNA (0.48) FOLH1LMNACYP1A2SMN1; SMN2TSHR
Thioglycolic Acid SCHEMBL997716 0.82 ALDH1A1 (0.47) LMNACYP1A2SMN1; SMN2TSHRMAPK1
SCHEMBL3100952 0.81 FOLH1 (0.52) FOLH1LMNACYP1A2SMN1; SMN2TSHR
Heptanoate SCHEMBL8418029 0.79 GPR84 (0.59) LMNACYP1A2TSHRUSP2ALDH1A1
Bicarbonate SCHEMBL10694124 0.77 ALDH1A1 (0.48) LMNACYP1A2SMN1; SMN2TSHRMAPK1
Bicarbonate SCHEMBL30612373 0.77 ALDH1A1 (0.48) LMNACYP1A2SMN1; SMN2TSHRMAPK1

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 FOLH1 2485/4885LMNA 4454/4885CYP1A2 1092/4885

“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.