SCHEMBL2652703

SCHEMBL2652703

O=CNCC1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.61
ADH1C P00326 2/20 0.61
ADH1A P07327 2/20 0.61
ADH7 P40394 2/20 0.61
ADH4 P08319 1/20 0.61
LMNA P02545 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL15213162 0.87
SCHEMBL207500 0.83
SCHEMBL1608989 0.80
SCHEMBL17732249 0.78 KDM1A (0.38) ADH1BADH1CADH1AADH7ADH4
SCHEMBL304641 0.78
SCHEMBL5360130 0.78 KCNH3 (0.37) ADH1BADH1CADH1AADH7ADH4
SCHEMBL21746653 0.77 ADH1B (0.35) ADH1BADH1CADH1AADH7ADH4
SCHEMBL15213163 0.76
SCHEMBL8952019 0.76 ADH1A (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL303776 0.76 ADH1A (1.00) ADH1BADH1CADH1AADH7ADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US claimed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP claimed
US-20190209539-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2019-07-11 US disclosed
EP-3500259-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica NV (BE) 2019-06-26 EP disclosed
EP-3481394-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica N.V. (BE) 2019-05-15 EP disclosed
WO-2018037342-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2018-03-01 WO disclosed
US-20180008587-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER Jaressen Pharmaceutica NV (BE) 2018-01-11 US disclosed
WO-2018009694-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2018-01-11 WO disclosed
US-9670166-B2 Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-06 US disclosed
EP-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
WO-2016044585-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP disclosed
US-20100137303-A1 NEW COMPOUND 255 ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137303-A1 NEW COMPOUND 255 ASTRAZENECA AB 2010-06-03 US disclosed
WO-2009147431-A1 THIAZOLO [5, 4-B] PYRIDINE AND OXAZOLO [5, 4-B] PYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed
US-20080312207-A1 Compounds SYNGENTA CROP PROTECTION AG (CH) 2008-12-18 US disclosed
EP-1718625-A1 COMPOUNDS AstraZeneca AB (SE) 2006-11-08 EP disclosed
WO-2005080360-A1 COMPOUNDS ASTRAZENECA AB (SE) 2005-09-01 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-20080312207-A1 Compounds GRK4, PTGER4, GRK5 ADH1B 2010/4885ADH1C 1299/4885ADH1A 1539/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ADH1B 3729/4885ADH1C 2210/4885ADH1A 2662/4885
US-20100137303-A1 NEW COMPOUND 255 MRPS35, MRPL21, CYP51A1 ADH1B 3326/4885ADH1C 4391/4885ADH1A 2575/4885
US-20190209539-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER AR, SHBG, NR5A1 ADH1B 378/4885ADH1C 476/4885ADH1A 208/4885
US-20180008587-A1 THIOHYDANTOIN ANDROGEN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER AR, SHBG, NR5A1 ADH1B 378/4885ADH1C 476/4885ADH1A 208/4885
US-20120172293-A1 PEPTIDE AND USE THEREOF GLP1R, GIPR, SCTR ADH1B 3798/4885ADH1C 2765/4885ADH1A 3073/4885

“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.