SCHEMBL973210

SCHEMBL973210

Cc1cc(O)cc(OCC(C)Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRB2 P07550 2/20 0.35
ADRB1 P08588 1/20 0.35
TSHR P16473 1/20 0.34
ALPL P05186 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9123701 0.87 KMT2A (0.41) ALDH1A1KMT2AADRB2ADRB1TSHR
SCHEMBL17204240 0.85 ALDH1A1 (0.44) ALDH1A1PTPN1POLBKMT2AADRB2
SCHEMBL17204118 0.80 ALDH1A1 (0.43) ALDH1A1PTPN1POLBKMT2ATSHR
SCHEMBL11564217 0.79 PTPN1 (0.41) ALDH1A1PTPN1POLBKMT2AADRB2
SCHEMBL9774077 0.75 ALDH1A1 (0.50) ALDH1A1PTPN1POLBKMT2A
SCHEMBL974357 0.74 ALDH1A1 (0.44) ALDH1A1PTPN1POLBKMT2A
SCHEMBL972974 0.74 ALDH1A1 (0.44) ALDH1A1PTPN1POLBKMT2A
SCHEMBL9121666 0.73 ADRB2 (0.56) KMT2AADRB2ADRB1SMN1; SMN2
SCHEMBL974832 0.73 TP53 (0.46) ALDH1A1PTPN1POLB
SCHEMBL17204428 0.72 ELANE (0.54) ALDH1A1PTPN1POLB

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-2178838-A2 NEW THROMBIN FUNCTION COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS BASED ON THEM Obschestvo S Ogranichennoi Otvetsttvennoctiyu "Bionika" (RU) 2010-04-28 EP 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
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 4317/4885PTPN1 2327/4885POLB 4347/4885
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 3871/4885PTPN1 3166/4885POLB 2252/4885

“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.