SCHEMBL500656

SCHEMBL500656

C=CCc1ccsc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
POLB P06746 2/20 0.36
SRD5A1 P18405 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX5 P09917 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
XDH P47989 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
GABRB1 P18505 1/20 0.30
RXRA P19793 1/20 0.30
CNR1 P21554 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
CNR2 P34972 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
SCHEMBL10388524 0.80 GABRA1 (0.37) GABRA1GABRB2POLBMAPTALOX5
SCHEMBL2065835 0.77
SCHEMBL18825994 0.76 HTT (0.42) ALDH1A1PTGS1PTGS2XDHMEN1
SCHEMBL9632650 0.75
SCHEMBL3716800 0.75
SCHEMBL255742 0.75
SCHEMBL1491977 0.75
SCHEMBL13572315 0.75
SCHEMBL4591842 0.74 GABRA1 (0.38) GABRA1GABRB2POLBMAPTALDH1A1
SCHEMBL27451193 0.73 POLB (0.41) GABRA1GABRB2POLBSRD5A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108912139-A A kind of organic solar batteries electron acceptor material and the preparation method and application thereof 南京邮电大学 2018-11-30 CN claimed
CN-108473911-B Formylthiophenes and their use in flavour and fragrance compositions 国际香料和香精公司 2021-10-29 CN disclosed
EP-3371291-A1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS International Flavors & Fragrances Inc. (US) 2018-09-12 EP disclosed
WO-2017079368-A1 FORMYLTHIOPHENES AND THEIR USE IN FLAVOR AND FRAGRANCE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2017-05-11 WO disclosed
EP-1985669-B1 PHOTOSENSITIZER DYE SHIMANE PREFECTURAL GOVERNMENT (JP) 2012-03-28 EP disclosed
US-8106198-B2 Photosensitizer dye SHIMANE PREFECTURAL GOVERNMENT (JP) 2012-01-31 US disclosed
US-20090216021-A1 Photosensitizer Dye SHIMANE PREFECTURAL GOVERNMENT (JP) 2009-08-27 US disclosed
EP-1985669-A1 PHOTOSENSITIZER DYE Shimane Prefectural Government (JP) 2008-10-29 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-20090216021-A1 Photosensitizer Dye PPOX, DDT, TDO2 GABRA1 492/4885GABRB2 259/4885POLB 328/4885

“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.