SCHEMBL1823348

SCHEMBL1823348

CCOC(=O)c1cc(-c2cccs2)c(C(=O)O)cc1-c1cccs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
GAA P10253 3/20 0.55
MAPT P10636 2/20 0.55
KEAP1 Q14145 1/20 0.55
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 7/20 0.50
HPGD P15428 7/20 0.50
CASP1 P29466 1/20 0.50
HIF1A Q16665 2/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
NPSR1 Q6W5P4 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 2/20 0.46

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
SCHEMBL25273104 1.00 ALDH1A1 (0.55) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL11957029 0.94 ALDH1A1 (0.60) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL19313385 0.90 ALDH1A1 (0.56) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL25273103 0.90 ALDH1A1 (0.56) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL12123475 0.90 ALDH1A1 (0.59) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL16141469 0.89 ALDH1A1 (0.55) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL15307581 0.88 ALDH1A1 (0.54) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL15594582 0.86 ALDH1A1 (0.53) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL15569597 0.86 ALDH1A1 (0.53) ALDH1A1GAAMAPTKEAP1KMT2A
SCHEMBL1823757 0.83 GPR35 (0.52) ALDH1A1GAAMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9017577-B2 Indacenodithiophene and indacenodiselenophene polymers and their use as organic semiconductors MERCK PATENT GMBH (DE) 2015-04-28 US disclosed
EP-2315793-B1 INDACENODITHIOPHENE AND INDACENODISELENOPHENE POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2013-08-21 EP disclosed
US-20110226999-A1 Indacenodithiophene and Indacenodiselenophene Polymers and their Use as Organic Semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-22 US disclosed
EP-2315793-A1 INDACENODITHIOPHENE AND INDACENODISELENOPHENE POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2011-05-04 EP disclosed
WO-2010020329-A1 INDACENODITHIOPHENE AND INDACENODISELENOPHENE POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH, (DE) 2010-02-25 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-20110226999-A1 Indacenodithiophene and Indacenodiselenophene Polymers and their Use as Organic Semiconductors ICMT, TST, INMT ALDH1A1 1672/4885GAA 4848/4885MAPT 97/4885

“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.