SCHEMBL9983120

SCHEMBL9983120

C=CCCCCCCCCC(=O)Sc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
FAAH O00519 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL13569377 0.90 ALDH1A1 (0.46) DAGLAALDH1A1MAPTKMT2AMEN1
SCHEMBL2912510 0.81 LMNA (0.49) ALDH1A1FAAHLMNA
SCHEMBL15503157 0.80 ALDH1A1 (0.49) ALDH1A1HDAC1HDAC6MAPTKMT2A
SCHEMBL2902840 0.79 LMNA (0.48) ALDH1A1MAPTKMT2AFAAHLMNA
SCHEMBL5881010 0.78 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL535804 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL4120039 0.75 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1PKM
SCHEMBL5880878 0.75 ALDH1A1 (0.55) DAGLAALDH1A1HDAC1HDAC6MAPT
SCHEMBL29742236 0.73 SMN1; SMN2 (0.54) DAGLAALDH1A1HDAC1HDAC6MAPT
SCHEMBL5860684 0.72 DAGLA (0.44) DAGLAALDH1A1HDAC1HDAC6MAPT

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 10 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
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-8329923-B2 4, 4′ disubstituted 4H-cyclopentadithiophene and new methods for synthesizing the same IMEC (BE) 2012-12-11 US 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
US-20110313175-A1 4, 4' DISUBSTITUTED 4H-CYCLOPENTADITHIOPHENE AND NEW METHODS FOR SYNTHESISING THE SAME UNIVERSITEIT HASSELT (BE) 2011-12-22 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
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 2926/4885ALDH1A1 2561/4885HDAC1 2449/4885

“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.