SCHEMBL353344

SCHEMBL353344

COc1ccc(CO[C@@H](C/C=C(\C)Cl)CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 2/20 0.37
AGXT P21549 2/20 0.37
TBXAS1 P24557 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC6A4 P31645 1/20 0.36
APP P05067 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
FFAR1 O14842 1/20 0.35
CALM1 P0DP23 1/20 0.35
AOC3 Q16853 1/20 0.34
HTT P42858 1/20 0.34
LDHA P00338 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
SCHEMBL17305606 1.00 MEN1 (0.43) MEN1KMT2AIDO1AGXTTBXAS1
SCHEMBL354135 0.87 IDO1 (0.37) IDO1AGXTTBXAS1CA1CA2
SCHEMBL354586 0.84 MEN1 (0.46) MEN1KMT2AIDO1AGXTTBXAS1
SCHEMBL13040466 0.83 MEN1 (0.43) MEN1KMT2AIDO1AGXTTBXAS1
SCHEMBL355605 0.82 MEN1 (0.47) MEN1KMT2AIDO1AGXTTBXAS1
SCHEMBL10100258 0.81 MEN1 (0.37) MEN1KMT2AIDO1AGXTTBXAS1
SCHEMBL17305607 0.81 MEN1 (0.37) MEN1KMT2AIDO1AGXTTBXAS1
SCHEMBL26512096 0.79 CA1 (0.45) IDO1AGXTTBXAS1CA1CA2
SCHEMBL7140177 0.74 TBXAS1 (0.43) IDO1AGXTTBXAS1CALM1
SCHEMBL13030081 0.74 TBXAS1 (0.43) IDO1AGXTTBXAS1CALM1

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-9827257-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-11-28 US disclosed
US-9750759-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-09-05 US disclosed
EP-2597091-B1 Antitumoral Compounds PHARMA MAR SA (ES) 2016-04-20 EP disclosed
US-20150344454-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-20150342972-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-9187445-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2015-11-17 US disclosed
US-8710264-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2014-04-29 US disclosed
EP-2231633-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2013-10-30 EP disclosed
US-8501968-B2 Antitumoral dihydropyran-2-one compounds PHARMAMAR, S.A. (ES) 2013-08-06 US disclosed
EP-2597091-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2013-05-29 EP disclosed
EP-2404912-A2 Process and intermediates for the preparation of antitumoral dihydropyran-2-one compounds Pharma Mar S.A. (ES) 2012-01-11 EP disclosed
EP-2404913-A2 Process and intermediates for the preparation of antitumoral dihydropyran-2-one compounds Pharma Mar S.A. (ES) 2012-01-11 EP disclosed
EP-2032551-B1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR SA (ES) 2011-08-31 EP disclosed
US-20110034549-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2011-02-10 US disclosed
US-20100280108-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-04 US disclosed
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-23 US disclosed
WO-2009080761-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 WO disclosed
WO-2009080769-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 WO disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 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 (6 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-20150344454-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MEN1 221/4885KMT2A 1953/4885IDO1 1187/4885
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885IDO1 3750/4885
US-20150342972-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MEN1 221/4885KMT2A 1953/4885IDO1 1187/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885IDO1 3750/4885
US-20100280108-A1 Antitumoral Compounds TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885KMT2A 2897/4885IDO1 2335/4885
US-20110034549-A1 Antitumoral Compounds CCNY, RB1, TPD52L2 MEN1 416/4885KMT2A 1976/4885IDO1 1331/4885

“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.