SCHEMBL974832

SCHEMBL974832

Cc1cc(O)cc(OCCCCCl)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 1/20 0.43
PTPN1 P18031 1/20 0.39
CNR1 P21554 6/20 0.39
CNR2 P34972 5/20 0.39
NR5A1 Q13285 1/20 0.38
POLB P06746 1/20 0.38
ELANE P08246 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL974357 0.94 ALDH1A1 (0.44) TP53ALOX15ALDH1A1PTPN1CNR1
SCHEMBL972974 0.91 ALDH1A1 (0.44) TP53ALOX15ALDH1A1PTPN1CNR1
SCHEMBL9699112 0.84 NR5A1 (0.58) TP53ALOX15CNR1CNR2NR5A1
SCHEMBL17463438 0.83 LTA4H (0.52) TP53ALOX15ALDH1A1CNR1CNR2
SCHEMBL13433985 0.81 ALDH1A1 (0.43) TP53ALOX15ALDH1A1PTPN1POLB
SCHEMBL17204428 0.81 ELANE (0.54) TP53ALOX15ALDH1A1PTPN1CNR1
SCHEMBL4028646 0.80 TP53 (0.50) TP53ALOX15ALDH1A1KDM4E
SCHEMBL18380849 0.78 TP53 (0.44) TP53ALOX15CNR1CNR2ELANE
SCHEMBL17203742 0.76 ALDH1A1 (0.41) TP53ALOX15ALDH1A1PTPN1POLB
SCHEMBL7961663 0.76 ALDH1A1 (0.41) TP53ALOX15ALDH1A1PTPN1POLB

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
CN-101848894-B New anticoagulant compounds, pharmaceutical compositions on their basis to treat thrombotic conditions, and plasma-substituting solution to correct hypercoagulation defects of hemodilution OBSCHESTVO S OGRANICHENNOI OTVETSTTVENNOCTIYU BIONIKA 2014-08-20 CN disclosed
US-8426433-B2 Anticoagulant compounds, pharmaceutical compositions on their basis to treat thrombotic conditions, and plasma-substituting solution to correct hypercoagulation defects of hemodilution Obschestvo S Ogranichennoi Otvetsttvennoctiyu “Bionika” (RU) 2013-04-23 US disclosed
US-20110003826-A1 ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION Obschestvo S Organichennoi Otvetsttvennoctiyu "Bio (RU) 2011-01-06 US disclosed
US-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S ORGANICHENNOI OTVETSTTVENNOCTIYOU "BIONIKA" (RU) 2010-12-23 US disclosed
CN-101861304-A Thrombin functional compounds and pharmaceutical compositions based thereon BIONIKA 2010-10-13 CN disclosed
CN-101848894-A New anticoagulant compounds, pharmaceutical compositions on their basis to treat thrombotic conditions, and plasma-substituting solution to correct hypercoagulation defects of hemodilution OBSCHESTVO S OGRANICHENNOI OTVETSTTVENNOCTIYU BIONIKA 2010-09-29 CN disclosed
EP-2178839-A2 NEW ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION Obschestvo S Ogranichennoi Otvetsttvennoctiyu "Bionika" (RU) 2010-04-28 EP disclosed
EP-2178838-A2 NEW THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM Obschestvo S Ogranichennoi Otvetsttvennoctiyu "Bionika" (RU) 2010-04-28 EP disclosed
WO-2009002228-A2 NEW THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM OBSCHESTVO S OGRANICHENNOI OTVETSTTVENNOCTIYU 'BIONIKA' (RU) 2008-12-31 WO disclosed
WO-2009002229-A2 NEW ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION OBSCHESTVO S OGRANICHENNOI OTVETSTTVENNOCTIYU 'BIONIKA' (RU) 2008-12-31 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 (2 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-20100324058-A1 THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM F2, PLAT, SERPINC1 TP53 2953/4885ALOX15 703/4885ALDH1A1 4317/4885
US-20110003826-A1 ANTICOAGULANT COMPOUNDS, PHARMACEUTICAL COMPOSITIONS ON THEIR BASIS TO TREAT THROMBOTIC CONDITIONS, AND PLASMA-SUBSTITUTING SOLUTION TO CORRECT HYPERCOAGULATION DEFECTS OF HEMODILUTION F2, PROC, PLG TP53 1734/4885ALOX15 322/4885ALDH1A1 3871/4885

“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.