SCHEMBL1647752

SCHEMBL1647752

O=Cc1ccc(OCc2ccc(F)c(F)c2)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
RXRG P48443 2/20 0.48
FOLH1 Q04609 3/20 0.47
LRRK2 Q5S007 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PPARA Q07869 1/20 0.44
TACR2 P21452 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1648089 0.89 LMNA (0.46) MRGPRX4KDM4EALDH1A1POLBL3MBTL1
SCHEMBL8847023 0.88 ALDH1A1 (0.64) MRGPRX4KDM4EALDH1A1POLBL3MBTL1
SCHEMBL1647507 0.87 L3MBTL1 (0.57) MRGPRX4KDM4EALDH1A1POLBL3MBTL1
SCHEMBL8846998 0.84 ALDH1A1 (0.64) MRGPRX4KDM4EALDH1A1POLBL3MBTL1
SCHEMBL1647514 0.83 LRRK2 (0.61) MRGPRX4RXRARXRBRXRGFOLH1
SCHEMBL8847033 0.83 FOLH1 (0.67) MRGPRX4KDM4EALDH1A1POLBL3MBTL1
SCHEMBL1648045 0.82 ALDH1A1 (0.73) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL7906857 0.81 RAB9A (0.61) MRGPRX4KDM4EALDH1A1POLBL3MBTL1
SCHEMBL2930191 0.81 RXRA (0.54) MRGPRX4KDM4EALDH1A1POLBL3MBTL1
SCHEMBL5217272 0.81 TACR2 (0.57) KDM4EALDH1A1POLBLMNAHTT

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MRGPRX4 4115/4885KDM4E 3000/4885ALDH1A1 4183/4885

“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.