SCHEMBL972974

SCHEMBL972974

Cc1cc(O)cc(OCCCl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
PTPN1 P18031 1/20 0.40
ELANE P08246 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MCL1 Q07820 1/20 0.35
GPR84 Q9NQS5 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
SCHEMBL974357 0.92 ALDH1A1 (0.44) ALDH1A1POLBTP53ALOX15PTPN1
SCHEMBL974832 0.91 TP53 (0.46) ALDH1A1POLBTP53ALOX15PTPN1
SCHEMBL2499550 0.86 CNR1 (0.40) CNR1CNR2CHRNB2CHRNA4
SCHEMBL17204428 0.82 ELANE (0.54) ALDH1A1POLBTP53ALOX15PTPN1
SCHEMBL17463438 0.81 LTA4H (0.52) ALDH1A1TP53ALOX15ELANEMEN1
SCHEMBL13433985 0.79 ALDH1A1 (0.43) ALDH1A1POLBTP53ALOX15PTPN1
SCHEMBL7961663 0.78 ALDH1A1 (0.41) ALDH1A1POLBTP53ALOX15PTPN1
SCHEMBL9699112 0.78 NR5A1 (0.58) TP53ALOX15CNR1CNR2
SCHEMBL17203742 0.78 ALDH1A1 (0.41) ALDH1A1POLBTP53ALOX15PTPN1
SCHEMBL9774077 0.78 ALDH1A1 (0.50) ALDH1A1POLBPTPN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 4317/4885POLB 4347/4885TP53 2953/4885
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 ALDH1A1 3871/4885POLB 2252/4885TP53 1734/4885

“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.