SCHEMBL4016463

SCHEMBL4016463

Nc1cc2c(cc1C(=O)O)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 7/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 2/20 0.52
PKM P14618 2/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
IDO1 P14902 1/20 0.47
CDC25B P30305 1/20 0.46
CASP6 P55212 1/20 0.46
RCE1 Q9Y256 1/20 0.46
GFER P55789 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL1506488 0.96 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL818480 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL28542807 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL819768 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL8791767 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2475898 0.78 IDO1 (0.46) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL2478058 0.77 KDM4E (0.56) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6283017 0.77 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL987442 0.77 IDO1 (0.62) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL3522023 0.76 MAPT (0.55) ALDH1A1KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 US disclosed
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 US disclosed
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-11-26 US disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 US disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 US disclosed
US-9132129-B2 Antiviral compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-09-15 US disclosed
EP-2640705-A2 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2013-09-25 EP disclosed
US-20130245049-A1 Novel Antiviral Compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-09-19 US disclosed
US-20130245049-A1 Novel Antiviral Compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-09-19 US disclosed
US-20130245049-A1 Novel Antiviral Compounds KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-09-19 US disclosed
US-20090023767-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-01-22 US disclosed
US-20090023767-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-01-22 US disclosed
EP-1976523-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
EP-1835918-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2007-09-26 EP disclosed
WO-2007081572-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2007081572-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-07-19 WO disclosed
WO-2006074281-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-07-13 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 (4 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-20130245049-A1 Novel Antiviral Compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 1414/4885KDM4E 2092/4885KMT2A 3816/4885
US-20080114016-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B ALDH1A1 2612/4885KDM4E 1158/4885KMT2A 880/4885
US-20150336965-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 1414/4885KDM4E 2092/4885KMT2A 3816/4885
US-20090023767-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B ALDH1A1 3142/4885KDM4E 1025/4885KMT2A 949/4885

“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.