SCHEMBL872989

SCHEMBL872989

OCCCC(Cl)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
IDO1 P14902 1/20 0.36
RRM1 P23921 1/20 0.36
AGXT P21549 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL8815544 0.89 SLC1A3 (0.42) LTA4HEPHX2SLC1A3SLC1A2SLC1A1
SCHEMBL8114978 0.82 CETP (0.41) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL21068681 0.81 LTA4H (0.46) LTA4HEPHX2SLC1A3SLC1A2SLC1A1
SCHEMBL10965779 0.81 TSHR (0.44) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL29087906 0.80 LTA4H (0.45) LTA4HEPHX2SLC1A3SLC1A2SLC1A1
SCHEMBL4488619 0.80 LTA4H (0.45) LTA4HEPHX2SLC1A3SLC1A2SLC1A1
SCHEMBL2300063 0.79 LTA4H (0.44) LTA4HEPHX2SLC1A3SLC1A2SLC1A1
SCHEMBL28342870 0.79 LTA4H (0.44) LTA4HEPHX2SLC1A3SLC1A2SLC1A1
SCHEMBL28342919 0.79 LTA4H (0.44) LTA4HEPHX2SLC1A3SLC1A2SLC1A1
SCHEMBL8114209 0.78 PPARG (0.42) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229636-B1 Cyanocobalamin low viscosity aqueous formulations for intranasal delivery NASTECH PHARMACEUTICAL COMPANY INC. (US) 2007-06-12 US claimed
US-20200317783-A1 BISPECIFIC ANTIBODY ONO PHARMACEUTICAL CO., LTD. (JP) 2020-10-08 US disclosed
EP-1997902-B1 SCREENING METHOD UNIV HIROSHIMA (JP) 2013-09-18 EP disclosed
US-8329420-B2 Screening method for a substance that binds to an intracellular region of TLR4 HIROSHIMA UNIVERSITY (JP) 2012-12-11 US disclosed
US-20120077856-A1 PHARMACEUTICAL PRODUCT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-03-29 US disclosed
EP-2366389-A1 Severe sepsis preventive therapeutic agent Takeda Pharmaceutical Company Limited (JP) 2011-09-21 EP disclosed
US-20110184034-A1 Severe sepsis preventive therapeutic agent TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-28 US disclosed
EP-2260869-A2 Pharmaceutical product Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
US-20090317833-A1 Screening Method HIROSHIMA UNIVERSITY (JP) 2009-12-24 US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 US disclosed
US-20090062355-A1 Pharmaceutical Product TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-03-05 US disclosed
EP-2018855-A1 PHARMACEUTICAL AGENT Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP disclosed
EP-2018872-A1 PHARMACEUTICAL PRODUCT Takeda Pharmaceutical Company Limited (JP) 2009-01-28 EP disclosed
EP-1997902-A1 SCREENING METHOD Hiroshima University (JP) 2008-12-03 EP disclosed
US-20060058288-A1 Severe sepsis preventive therapeutic agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-16 US disclosed
EP-1495756-A1 SEVERE SEPSIS PREVENTIVE THERAPEUTIC AGENT Takeda Chemical Industries, Ltd. (JP) 2005-01-12 EP disclosed
US-20040009168-A1 Multidose antibody formulation PROTEIN DESIGN LABS, INC. 2004-01-15 US disclosed
US-5021439-A Senile dementia and memory dysfunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed
US-4952212-A Ocular treatment IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-08-28 US disclosed
US-4912215-A Cyclic structure with a secondary amide in ring YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-27 US 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 (5 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-20090062355-A1 Pharmaceutical Product ATF1, ATF4, TLR8 LTA4H 916/4885EPHX2 1650/4885SLC1A3 3242/4885
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME SQLE, FDFT1, PTGIS LTA4H 46/4885EPHX2 528/4885SLC1A3 4378/4885
US-20060058288-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 LTA4H 1257/4885EPHX2 3198/4885SLC1A3 2121/4885
US-20110184034-A1 Severe sepsis preventive therapeutic agent TLR1, TLR5, TLR4 LTA4H 1279/4885EPHX2 3302/4885SLC1A3 2119/4885
US-20120077856-A1 PHARMACEUTICAL PRODUCT ATF1, ATF4, TLR8 LTA4H 916/4885EPHX2 1650/4885SLC1A3 3242/4885

“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.