SCHEMBL9983122

SCHEMBL9983122

C=CCCCCCCCC(C(O)=S)c1ccccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 0.36
CYP3A4 P08684 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
DAGLA Q9Y4D2 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CHRM2 P08172 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
PMP22 Q01453 2/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTBP1 P26599 1/20 0.31

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
SCHEMBL2902846 0.79 KCNA5 (0.44) ALDH1A1KDM4ECYP2C19LMNATSHR
Sulfuric Acid SCHEMBL27986458 0.74 FAAH (0.39) ALDH1A1KDM4ECYP2C19LMNATSHR
Sulfuric Acid SCHEMBL27986459 0.72 TSHR (0.38) ALDH1A1KDM4ECYP2C19LMNATSHR
SCHEMBL5669240 0.71 ALDH1A1 (0.47) ALDH1A1KDM4ECYP2C19TSHRCYP3A4
SCHEMBL9602091 0.70 FAAH (0.48) KDM4E
SCHEMBL11819231 0.70 CYP2C19 (0.39) ALDH1A1KDM4ECYP2C19TSHRRAB9A
SCHEMBL11880698 0.69 KDM4E (0.43) ALDH1A1KDM4ECYP2C19LMNARAB9A
SCHEMBL30047139 0.68 CYP2C19 (0.60) ALDH1A1KDM4ECYP2C19LMNATSHR
SCHEMBL28704099 0.68 CYP2C19 (0.60) CYP2C19LMNA
SCHEMBL2232794 0.67 TSHR (0.42) ALDH1A1KDM4ECYP2C19LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397475-B1 4, 4' disubstituted 4H-cyclopentadithiophene and new methods for synthesising the same IMEC (BE) 2014-11-12 EP disclosed
US-8329923-B2 4, 4′ disubstituted 4H-cyclopentadithiophene and new methods for synthesizing the same IMEC (BE) 2012-12-11 US disclosed
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME UNIVERSITEIT HASSELT (BE) 2011-12-22 US disclosed
EP-2397475-A1 4, 4' disubstituted 4H-cyclopentadithiophene and new methods for synthesising the same IMEC (BE) 2011-12-21 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-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME DDT, NISCH, DBH ALDH1A1 2561/4885KDM4E 2108/4885CYP2C19 1643/4885

“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.