SCHEMBL1896293

SCHEMBL1896293

CCCCCCC(=O)c1ccc(-c2cccs2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 3/20 0.57
GAA P10253 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 2/20 0.57
GLA P06280 1/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
HPGD P15428 3/20 0.52
HDAC1 Q13547 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL6419717 0.99 ALDH1A1 (0.59) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL12569032 0.87 HSD17B3 (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL15803999 0.85 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL13942802 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL12887317 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL21151718 0.82 HSD17B3 (0.47) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL8571801 0.81 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL23859828 0.81 HPGD (0.73) ALDH1A1LMNAL3MBTL1MAPTNPC1
SCHEMBL3183371 0.81 HPGD (0.73) ALDH1A1LMNAL3MBTL1MAPTNPC1
SCHEMBL8972518 0.81 HPGD (0.73) ALDH1A1LMNAL3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140027746-A1 STAR-SHAPED COMPOUNDS FOR ORGANIC SOLAR CELLS HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2014-01-30 US disclosed
US-20140027746-A1 STAR-SHAPED COMPOUNDS FOR ORGANIC SOLAR CELLS HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2014-01-30 US disclosed
EP-2668224-A1 STAR-SHAPED COMPOUNDS FOR ORGANIC SOLAR CELLS Heraeus Precious Metals GmbH & Co. KG (DE) 2013-12-04 EP disclosed
WO-2012100908-A1 STAR-SHAPED COMPOUNDS FOR ORGANIC SOLAR CELLS HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2012-08-02 WO disclosed
US-20110101318-A1 NOVEL MACROMOLECULAR COMPOUNDS HAVING A CORE-SHELL STRUCTURE FOR USE AS SEMICONDUCTORS HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2011-05-05 US disclosed
US-20110101318-A1 NOVEL MACROMOLECULAR COMPOUNDS HAVING A CORE-SHELL STRUCTURE FOR USE AS SEMICONDUCTORS HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2011-05-05 US disclosed
US-20110101318-A1 NOVEL MACROMOLECULAR COMPOUNDS HAVING A CORE-SHELL STRUCTURE FOR USE AS SEMICONDUCTORS HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2011-05-05 US disclosed
WO-2009112319-A1 NOVEL MACROMOLECULAR COMPOUNDS HAVING A CORE-SHELL STRUCTURE FOR USE AS SEMICONDUCTORS H.C. STARCK GMBH (DE) 2009-09-17 WO disclosed
EP-1007035-A4 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-11-22 EP disclosed
EP-1007035-A1 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-06-14 EP disclosed
WO-1998023269-A1 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 1998-06-04 WO disclosed
US-5753692-A PLANT EXTRACTS, IMMUNOSTIMULANTS TREATING IMMUNODEFICIENCY DISEASES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-19 US disclosed
US-5747525-A ANTITUMOR AGENTS OF OLIGOMERS OF THIOPHENE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1998-05-05 US disclosed
US-5741811-A ADMINISTERING TO CANCER PATIENTS PURDUE RESEARCH FOUNDATION (US) 1998-04-21 US disclosed
US-5602170-A ADMINISTERING ANTIIFLAMMATORY AGENT INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-02-11 US disclosed
US-5578636-A Polythiophene anti-tumor agents PURDUE RESEARCH FOUNDATION (US) 1996-11-26 US 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-20110101318-A1 NOVEL MACROMOLECULAR COMPOUNDS HAVING A CORE-SHELL STRUCTURE FOR USE AS SEMICONDUCTORS EPCAM, MRPS22, ILK ALDH1A1 4398/4885KDM4E 3316/4885LMNA 3876/4885

“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.