SCHEMBL15071229

SCHEMBL15071229

CCCc1c(CCC)c2sccc2c2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
GPR35 Q9HC97 1/20 0.35
ADORA1 P30542 3/20 0.32
ADORA3 P0DMS8 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA2A P29274 1/20 0.31
MAPT P10636 1/20 0.31
NOS2 P35228 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
LDHA P00338 1/20 0.30
LDHB P07195 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
SCHEMBL9988127 0.91 KDM4E (0.36) KDM4EALDH1A1GAAHPGDGPR35
SCHEMBL15954438 0.87 GPR35 (0.43) HPGDGPR35MAPTPDE4APDE4B
SCHEMBL3370732 0.86 KDM4E (0.36) KDM4EALDH1A1GAAHPGDGPR35
SCHEMBL15086567 0.78 GPR35 (0.32) GPR35
SCHEMBL13558999 0.78
SCHEMBL235244 0.76 ADORA1 (0.33) GPR35ADORA1ADORA3ADORA2AMAPT
SCHEMBL3842694 0.75 GPR35 (0.51) KDM4EALDH1A1HPGDGPR35ADORA3
SCHEMBL336915 0.75 GPR35 (0.51) KDM4EALDH1A1HPGDGPR35ADORA3
SCHEMBL861104 0.75 GPR35 (0.51) KDM4EALDH1A1HPGDGPR35ADORA3
SCHEMBL995654 0.75 GPR35 (0.51) KDM4EALDH1A1HPGDGPR35ADORA3

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794617-B1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI SPA (IT) 2016-03-09 EP claimed
US-20140364628-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A. (IT) 2014-12-11 US claimed
US-9315516-B2 Benzodithiophene derivatives and their use as photoluminescent compounds ENI S.P.A. (IT) 2016-04-19 US disclosed
US-9315516-B2 Benzodithiophene derivatives and their use as photoluminescent compounds ENI S.P.A. (IT) 2016-04-19 US disclosed
EP-2794617-B1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI SPA (IT) 2016-03-09 EP disclosed
EP-2794617-B1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI SPA (IT) 2016-03-09 EP disclosed
EP-2789620-B1 Process for the preparation of benzoheterodiazole compounds disubstituted with benzodithiophene groups ENI SPA (IT) 2016-01-13 EP disclosed
EP-2738175-B1 Process for the preparation of benzodithiophene compounds ENI SPA (IT) 2015-10-14 EP disclosed
US-9120831-B2 Process for the preparation of benzoheterodiazole compounds disubstituted with benzodithiophene groups ENI S.P.A. (IT) 2015-09-01 US disclosed
US-9120831-B2 Process for the preparation of benzoheterodiazole compounds disubstituted with benzodithiophene groups ENI S.P.A. (IT) 2015-09-01 US disclosed
US-8981118-B2 Process for the preparation of benzodithiophene compounds ENI S.P.A. (IT) 2015-03-17 US disclosed
US-20140364628-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A. (IT) 2014-12-11 US disclosed
US-20140309430-A1 PROCESS FOR THE PREPARATION OF BENZOHETERODIAZOLE COMPOUNDS DISUBSTITUTED WITH BENZODITHIOPHENE GROUPS ENI S.P.A. (IT) 2014-10-16 US disclosed
US-20140309430-A1 PROCESS FOR THE PREPARATION OF BENZOHETERODIAZOLE COMPOUNDS DISUBSTITUTED WITH BENZODITHIOPHENE GROUPS ENI S.P.A. (IT) 2014-10-16 US disclosed
EP-2789620-A1 Process for the preparation of benzoheterodiazole compounds disubstituted with benzodithiophene groups ENI S.p.A. (IT) 2014-10-15 EP disclosed
US-20140155631-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A. (IT) 2014-06-05 US disclosed
US-20140155631-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A. (IT) 2014-06-05 US disclosed
EP-2738175-A1 Process for the preparation of benzodithiophene compounds ENI S.p.A. (IT) 2014-06-04 EP disclosed
WO-2013098726-A1 BENZODITHIOPHENE DERIVATIVES AND THEIR USE AS PHOTOLUMINESCENT COMPOUNDS ENI S.P.A. (IT) 2013-07-04 WO disclosed
WO-2013092648-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS ENI S.P.A. (IT) 2013-06-27 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 (3 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-20140155631-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS DDC, DDT, AOC1 KDM4E 1002/4885ALDH1A1 40/4885GAA 3290/4885
US-20140309430-A1 PROCESS FOR THE PREPARATION OF BENZOHETERODIAZOLE COMPOUNDS DISUBSTITUTED WITH BENZODITHIOPHENE GROUPS SBDS, HLCS, DDC KDM4E 898/4885ALDH1A1 1293/4885GAA 2082/4885
US-20140364628-A1 PROCESS FOR THE PREPARATION OF BENZODITHIOPHENE COMPOUNDS DDC, DLST, HLCS KDM4E 402/4885ALDH1A1 328/4885GAA 4075/4885

“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.