SCHEMBL2335645

SCHEMBL2335645

O=C1c2ccccc2C(=O)c2cc3c(cc21)sc1ccccc13

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
MAPT P10636 5/20 0.59
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
POLB P06746 2/20 0.59
GPR3 P46089 1/20 0.52
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CDC25B P30305 1/20 0.44
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 1/20 0.42
NPC1 O15118 4/20 0.41
MAPK1 P28482 3/20 0.41
ELANE P08246 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL10057989 0.96 MAPT (0.63) ALDH1A1MAPTTDP1L3MBTL1POLB
SCHEMBL14020113 0.89 KDM4E (0.56) ALDH1A1MAPTTDP1L3MBTL1POLB
Dibenzothiophene SCHEMBL28650870 0.86 GPR3 (0.64) ALDH1A1MAPTTDP1L3MBTL1POLB
SCHEMBL17433157 0.84 GPR3 (0.61) ALDH1A1MAPTTDP1L3MBTL1POLB
SCHEMBL17433156 0.84 GPR3 (0.61) ALDH1A1MAPTTDP1L3MBTL1POLB
SCHEMBL17431147 0.84 GPR3 (0.61) ALDH1A1MAPTTDP1L3MBTL1POLB
SCHEMBL17433226 0.84 GPR3 (0.67) ALDH1A1MAPTTDP1L3MBTL1POLB
SCHEMBL14174175 0.82 ALDH1A1 (0.58) ALDH1A1MAPTTDP1L3MBTL1POLB
Anthraquinone SCHEMBL3693137 0.80 KDM4E (0.56) ALDH1A1MAPTTDP1L3MBTL1POLB
SCHEMBL23699575 0.80 ALDH1A1 (0.54) ALDH1A1MAPTTDP1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8821762-B2 Anthra[2,3-b]benzo[d]thiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH (DE) 2014-09-02 US claimed
US-20110248220-A1 Anthra[2,3-b]benzo[d]thiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT (GB) 2011-10-13 US claimed
US-8821762-B2 Anthra[2,3-b]benzo[d]thiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8821762-B2 Anthra[2,3-b]benzo[d]thiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8821762-B2 Anthra[2,3-b]benzo[d]thiophene derivatives and their use as organic semiconductors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-20140027757-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
US-20140027757-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2014-01-30 US disclosed
WO-2012141229-A1 NOVEL SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE HAVING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-10-18 WO disclosed
US-20110248220-A1 Anthra[2,3-b]benzo[d]thiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT (GB) 2011-10-13 US disclosed
US-20110248220-A1 Anthra[2,3-b]benzo[d]thiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT (GB) 2011-10-13 US disclosed
US-20110248220-A1 Anthra[2,3-b]benzo[d]thiophene Derivatives and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT (GB) 2011-10-13 US disclosed
EP-2358696-A1 ANTHRAÝ2,3-B¨BENZOÝD¨THIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2011-08-24 EP disclosed
WO-2010069457-A1 ANTHRA[2,3-B]BENZO[D]THIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2010-06-24 WO disclosed
WO-2010069457-A1 ANTHRA[2,3-B]BENZO[D]THIOPHENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2010-06-24 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 (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-20110248220-A1 Anthra[2,3-b]benzo[d]thiophene Derivatives and their Use as Organic Semiconductors ANTXR2, TST, ANXA2 ALDH1A1 1919/4885MAPT 3453/4885TDP1 3025/4885

“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.