SCHEMBL656596

SCHEMBL656596

O=C(C=Cc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
MEN1 O00255 8/20 1.00
KMT2A Q03164 8/20 1.00
RAB9A P51151 7/20 1.00
ALDH1A1 P00352 6/20 1.00
NPC1 O15118 6/20 1.00
HPGD P15428 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
NFKB1 P19838 1/20 1.00
NFKB2 Q00653 1/20 1.00
RELA Q04206 1/20 1.00
LMNA P02545 4/20 0.79
KDM4E B2RXH2 4/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
PKM P14618 1/20 0.79
ALOX12 P18054 1/20 0.79
CYP2C19 P33261 1/20 0.79

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
SCHEMBL30090660 1.00 MAPT (1.00) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL656595 1.00 MAPT (1.00) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL30734355 1.00 MAPT (1.00) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL16210969 0.95 MEN1 (0.91) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL16210970 0.95 MEN1 (0.91) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL16211173 0.91 MEN1 (0.84) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL16211174 0.91 MEN1 (0.84) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL30090669 0.88 MAPT (0.79) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL13723439 0.88 MAPT (0.79) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL13723443 0.88 MAPT (0.79) MAPTMEN1KMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis THE UNIVERSITY OF TOLEDO (US) 2014-10-30 US claimed
CN-115414480-A Dianhydrogalactitol in combination with radiation for treatment of non-small cell lung cancer and glioblastoma multiforme 德玛医药 2022-12-02 CN disclosed
US-20190015379-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF, TOGETHER WITH RADIATION, TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME AND SUPPRESS PROLIFERATION OF CANCER STEM CELLS DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2019-01-17 US disclosed
EP-3217970-A1 DIANHYDROGALACTITOL TOGETHER WITH RADIATION TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME Del Mar Pharmaceuticals (CA) 2017-09-20 EP disclosed
WO-2016077264-A1 DIANHYDROGALACTITOL TOGETHER WITH RADIATION TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME DEL MAR PHARMACEUTICALS (CA) 2016-05-19 WO disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-9061994-B1 Materials and methods useful to induce vacuolization, cell death, or a combination thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-23 US disclosed
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-04 US disclosed
US-9028796-B2 Materials and methods useful to induce cell death via methuosis THE UNIVERSITY OF TOLEDO (US) 2015-05-12 US disclosed
US-9023871-B2 Materials and Methods Useful to Induce Vacuolization, Cell Death, or a Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-05-05 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
EP-0812825-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2004-02-11 EP disclosed
EP-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0812825-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-17 EP disclosed
EP-0770601-A1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-02 EP disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 EP 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-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof BECN1, BAD, BAX MAPT 2529/4885MEN1 1465/4885KMT2A 3031/4885
US-20190015379-A1 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF, TOGETHER WITH RADIATION, TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND GLIOBLASTOMA MULTIFORME AND SUPPRESS PROLIFERATION OF CANCER STEM CELLS MGMT, DCLRE1A, DNMT1 MAPT 4340/4885MEN1 1198/4885KMT2A 1245/4885
US-20140322128-A1 Materials and Methods Useful to Induce Cell Death via Methuosis MCL1, BAX, BCL2 MAPT 3329/4885MEN1 2167/4885KMT2A 2128/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB MAPT 964/4885MEN1 2058/4885KMT2A 1777/4885

“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.