SCHEMBL320723

SCHEMBL320723

CCCCC(CC)COC(=O)c1cc2c(Br)sc(Br)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 4/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 5/20 0.48
MAPK1 P28482 3/20 0.48
LMNA P02545 3/20 0.46
HSD17B10 Q99714 2/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP14 P50281 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL13280839 0.92 PRSS1 (0.44) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL2237873 0.89 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL21415646 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL15463917 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL20253254 0.82 ALDH1A1 (0.40) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL20253255 0.82 ALDH1A1 (0.43) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL17112416 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL23424467 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL16939019 0.79 ESR1 (0.47) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL321192 0.79 CA2 (0.39) ALDH1A1CA2TSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021795-A1 METHODS OF PREPARING REGIOREGULAR CONJUGATED POLYMERS THE UNIVERSITY OF CHICAGO 2023-01-26 US disclosed
EP-2825587-B1 CONJUGATED POLYMERS RAYNERGY TEK INC (TW) 2022-11-23 EP disclosed
WO-2021101768-A1 METHODS OF PREPARING REGIOREGULAR CONJUGATED POLYMERS THE UNIVERSITY OF CHICAGO (US) 2021-05-27 WO disclosed
US-9701692-B1 Synthesis of thienothiophenes INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-07-11 US disclosed
US-9701692-B1 Synthesis of thienothiophenes INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-07-11 US disclosed
US-9559305-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
US-9559305-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
US-9559305-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-01-31 US disclosed
US-9379331-B2 Semiconducting polymers THE UNIVERSITY OF CHICAGO (US) 2016-06-28 US disclosed
US-9331282-B2 Conjugated polymer, and electron donating organic material, material for photovoltaic device and photovoltaic device using the conjugated polymer TORAY INDUSTRIES, INC. (JP) 2016-05-03 US disclosed
US-8436134-B2 Semiconducting polymers UNIVERSITY OF CHICAGO (US) 2013-05-07 US disclosed
US-20120298193-A1 ELECTRON DONATING POLYMER AND SOLAR CELL INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-11-29 US disclosed
US-20120298193-A1 ELECTRON DONATING POLYMER AND SOLAR CELL INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-11-29 US disclosed
WO-2012003919-A2 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed
WO-2012003919-A2 SEMICONDUCTING POLYMERS MERCK PATENT GMBH (DE) 2012-01-12 WO disclosed
US-20110124822-A1 SEMICONDUCTING POLYMERS NATIONAL SCIENCE FOUNDATION 2011-05-26 US disclosed
US-20110124822-A1 SEMICONDUCTING POLYMERS NATIONAL SCIENCE FOUNDATION 2011-05-26 US disclosed
US-20110124822-A1 SEMICONDUCTING POLYMERS NATIONAL SCIENCE FOUNDATION 2011-05-26 US disclosed
EP-2307483-A1 SEMICONDUCTING POLYMERS University Of Chicago (US) 2011-04-13 EP disclosed
WO-2010008672-A1 SEMICONDUCTING POLYMERS UNIVERSITY OF CHICAGO (US) 2010-01-21 WO disclosed