SCHEMBL4244577

SCHEMBL4244577

Cc1cc(-c2csc(C)c2)cs1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
GAA P10253 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CNR1 P21554 1/20 0.39
HPGD P15428 5/20 0.37
ALDH1A1 P00352 3/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PRKDC P78527 1/20 0.30

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
SCHEMBL14198883 0.84 ALDH1A1 (0.41) DAOGAAAPOBEC3GCNR1HPGD
SCHEMBL883778 0.84 ALDH1A1 (0.44) DAOGAACNR1HPGDALDH1A1
SCHEMBL13802803 0.81 ALAD (0.52) CNR1ALDH1A1HTTKMT2ANPC1
SCHEMBL18869535 0.81 ALAD (0.52) CNR1HPGDALDH1A1ALOX12KDM4E
SCHEMBL4244869 0.81 CYP2A6 (0.48) KDM4E
SCHEMBL4478459 0.78 KIF11 (0.50) APOBEC3GHPGDALDH1A1HTTKDM4E
SCHEMBL3711956 0.78 HPGD (0.34) DAOGAAAPOBEC3GCNR1HPGD
SCHEMBL20288147 0.78 DYRK1A (0.50) CNR1
SCHEMBL20288145 0.76 PIK3CD (0.44) GAAHPGDALDH1A1ALOX12HTT
SCHEMBL30963923 0.76 HSD17B1 (0.65) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
US-7635781-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2009-12-22 US disclosed
EP-1926738-B1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2009-12-09 EP disclosed
EP-1926738-B1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2009-12-09 EP disclosed
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives BASELL POLYOLEFINE GMBH (DE) 2009-05-07 US disclosed
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives BASELL POLYOLEFINE GMBH (DE) 2009-05-07 US disclosed
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives BASELL POLYOLEFINE GMBH (DE) 2009-05-07 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
US-20080287692-A1 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2008-11-20 US disclosed
EP-1387827-B1 SYNTHESIS OF CYCLOPENTADIENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2008-09-24 EP disclosed
EP-1926738-A1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES Basell Polyolefine GmbH (DE) 2008-06-04 EP disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
US-7253292-B2 Synthesis of cyclopentadiene derivatives BASELL POLYOLEFINE GMBH (DE) 2007-08-07 US disclosed
WO-2007033937-A1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2007-03-29 WO disclosed
WO-2007033937-A1 SYNTHESIS OF CYCLOPENTADIENEDITHIOPHENE DERIVATIVES BASELL POLYOLEFINE GMBH (DE) 2007-03-29 WO 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 (2 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-20080287692-A1 Synthesis of cyclopentadiene derivatives CYCS, CYC1, CBR1 DAO 1360/4885GAA 4853/4885APOBEC3G 2194/4885
US-20090118522-A1 Synthesis of Cyclopentadienedithiophene Derivatives CCNT1, CBR1, TST DAO 921/4885GAA 4842/4885APOBEC3G 3302/4885

“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.