SCHEMBL840464

SCHEMBL840464

C[SiH](C)OC(c1cccc(O)c1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.45
ADRA1A P35348 2/20 0.45
MIF P14174 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2B P41595 1/20 0.45
HIF1A Q16665 4/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
DRD1 P21728 1/20 0.39
HTR7 P34969 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD3 P35462 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL8149465 0.81 ADRB1 (0.41) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL7310726 0.80 IDO1 (0.39) SLC6A3CYP3A4ALDH1A1
SCHEMBL631423 0.80 CYP3A4 (0.35) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL5202527 0.80 ENPP2 (0.34) TSHRSLC6A3CYP3A4
SCHEMBL2298491 0.79 ESR1 (0.40) ADRA1AHIF1AHTR1ATSHRDRD1
SCHEMBL7124643 0.79 SLC6A2 (0.32) SLC6A3
SCHEMBL4380249 0.76 PNMT (0.36) NFKB1SLC6A3CYP3A4ALDH1A1
SCHEMBL8344764 0.76 TP53 (0.40) TSHRALDH1A1
SCHEMBL481290 0.76 ALDH1A1 (0.36) ADRA1ATSHRADRA2BLMNAALDH1A1
SCHEMBL8715776 0.76 AOC3 (0.31)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856278-B2 Lysophosphatidylserine derivative THE UNIVERSITY OF TOKYO (JP) 2018-01-02 US disclosed
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE THE UNIVERSITY OF TOKYO (JP) 2017-07-27 US disclosed
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed
US-6538033-B2 E.g., 1, 3-(nitrooxymethyl)phenyl 2-hydroxybenzoate; treatomg coronary artery disease. HUNTINGTON MEDICAL RESEARCH INSTITUTES 2003-03-25 US disclosed
US-20020032232-A1 Nitric oxide donor compounds NICOX, S.A. (FR) 2002-03-14 US disclosed
EP-0485026-A2 Antimanic phenoxymethylene bisphosphonate derivatives MERCK SHARP & DOHME LTD. (GB) 1992-05-13 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 (3 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI ADRB1 4360/4885ADRA1A 2915/4885MIF 198/4885
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE LPAR3, LPAR1, LPAR4 ADRB1 1013/4885ADRA1A 2368/4885MIF 2731/4885
US-20020032232-A1 Nitric oxide donor compounds NOS1, NOS3, NOS2 ADRB1 26/4885ADRA1A 73/4885MIF 2319/4885

“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.