SCHEMBL12028322

SCHEMBL12028322

c1ccc(CC2(Cc3ccccc3)c3ccsc3-c3sccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.35
▸ KCNQ2 O43526 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CALM1 P0DP23 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PDPK1 O15530 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTPRC P08575 1/20 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
SCHEMBL12028228 0.89 ELANE (0.44) MAOAMAOBSIGMAR1ELANE
SCHEMBL12027484 0.82 ELANE (0.42) MAOAMAOBSIGMAR1ELANE
SCHEMBL9267924 0.80 CYP1A2 (0.46) KCNQ2CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL9378728 0.75 KCNQ2 (0.60) KCNQ2CYP1A2CYP3A4CYP2C9ALOX15
SCHEMBL12027481 0.71 CES1 (0.31) —
SCHEMBL14216949 0.70 LMNA (0.35) PDPK1LMNAPTPRC
SCHEMBL4264901 0.69 KCNQ2 (0.55) MAOAMAOBKCNQ2CYP1A2CYP3A4
SCHEMBL9983294 0.67 ELANE (0.32) ELANELMNA
SCHEMBL12028209 0.65 — —
SCHEMBL22770702 0.65 ELANE (0.34) ELANELMNA

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 6 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-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
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 MAOA 1646/4885MAOB 874/4885SIGMAR1 1459/4885

“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.

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