SCHEMBL1646770

SCHEMBL1646770

Cc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.56
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MRGPRX4 Q96LA9 3/20 0.52
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
TDP1 Q9NUW8 4/20 0.51
FOLH1 Q04609 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DHODH Q02127 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL11565369 0.89 LRRK2 (0.59) LRRK2HTTALDH1A1MRGPRX4PTGER1
SCHEMBL28035504 0.87 LRRK2 (0.55) LRRK2HTTALDH1A1MRGPRX4PTGER1
SCHEMBL1647381 0.87 FOLH1 (0.67) LRRK2ALDH1A1MRGPRX4PTGER1PTGER4
SCHEMBL6449105 0.85 MAPT (0.63) LRRK2HTTMRGPRX4PTGER1PTGER4
SCHEMBL29707535 0.85 MAPT (0.63) LRRK2HTTMRGPRX4PTGER1PTGER4
SCHEMBL23809724 0.85 ALDH1A1 (0.62) HTTALDH1A1TDP1FOLH1L3MBTL1
SCHEMBL1647432 0.84 TDP1 (0.58) HTTALDH1A1TDP1FOLH1L3MBTL1
SCHEMBL21327456 0.84 LRRK2 (0.57) LRRK2ALDH1A1MRGPRX4PTGER1PTGER4
SCHEMBL38657580 0.84 LRRK2 (0.57) LRRK2ALDH1A1MRGPRX4PTGER1PTGER4
SCHEMBL1646579 0.83 LRRK2 (0.57) LRRK2HTTALDH1A1MRGPRX4KDM4E

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
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 WO disclosed
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 US disclosed
EP-1216257-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2002-06-26 EP disclosed
WO-2001023399-A1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 2001-04-05 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885HTT 110/4885ALDH1A1 4183/4885
US-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 LRRK2 4110/4885HTT 4102/4885ALDH1A1 1085/4885

“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.