SCHEMBL9983121

SCHEMBL9983121

C=CCCCCCCCCC(=S)Oc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.40
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
FAAH O00519 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 0.32
HDAC11 Q96DB2 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC9 Q9UKV0 2/20 0.32
HDAC5 Q9UQL6 2/20 0.32
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL28756613 0.88 KDM4E (0.34) DAGLAALDH1A1LMNAKDM4ETDP1
SCHEMBL2902842 0.80 LMNA (0.46) LMNAFAAHKDM4EHTTRAB9A
SCHEMBL9983120 0.68 DAGLA (0.46) DAGLAHDAC1HDAC6ALDH1A1LMNA
SCHEMBL435144 0.68 KDM4E (0.44) ALDH1A1LMNAMAPTHDAC8KDM4E
SCHEMBL31734268 0.68 KDM4E (0.44) ALDH1A1LMNAMAPTHDAC8KDM4E
SCHEMBL6263682 0.67 PRSS1 (0.40) HDAC1HDAC6ALDH1A1LMNAHDAC3
SCHEMBL29742236 0.67 SMN1; SMN2 (0.54) DAGLAHDAC1HDAC6ALDH1A1ABCC4
SCHEMBL457030 0.66 HRH1 (0.61) HDAC1ALDH1A1LMNAHDAC4TDP1
SCHEMBL21052634 0.66 HRH1 (0.61) HDAC1ALDH1A1LMNAHDAC4TDP1
SCHEMBL670301 0.66 KDM4E (0.42) ALDH1A1LMNAMAPTKDM4ETDP1

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 DAGLA 2926/4885HDAC1 2449/4885HDAC6 2727/4885

“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.