SCHEMBL9983107

SCHEMBL9983107

CCCCCCCCC(=O)CC(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
HAO1 Q9UJM8 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL8670142 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL11477145 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL11458588 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL11477827 1.00 CA2 (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL11475280 0.98 CA2 (0.53) CA2TSHRCYP3A4ATMTDP1
SCHEMBL15401578 0.96 MAPT (0.48) CA2TSHRCYP3A4ATMTDP1
SCHEMBL8356601 0.94 MAPT (0.52) CA2TSHRCYP3A4ATMTDP1
SCHEMBL11459440 0.92 CA2 (0.55) CA2TSHRCYP3A4ATMTDP1
SCHEMBL2994424 0.90 KMT2A (0.54) TSHRTDP1MAPTKMT2AALDH1A1
SCHEMBL9957518 0.90 KMT2A (0.61) TSHRTDP1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4240983-A HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 US claimed
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
US-4240983-A HALOGENATION BAYER AKTIENGESELLSCHAFT (DE) 1980-12-23 US 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 CA2 113/4885TSHR 784/4885CYP3A4 1027/4885

“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.