SCHEMBL1647426

SCHEMBL1647426

O=C(OCc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.62
SRPK3 Q9UPE1 1/20 0.58
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 2/20 0.52
MRGPRX4 Q96LA9 4/20 0.50
PTGER1 P34995 2/20 0.48
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PTGES O14684 1/20 0.45
ALOX5 P09917 1/20 0.45
PPARG P37231 1/20 0.45
PSEN1 P49768 1/20 0.45
LIPG Q9Y5X9 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL1647092 0.87 LRRK2 (0.65) LRRK2SRPK3RXRARXRBRXRG
SCHEMBL4435052 0.84 RXRA (0.55) LRRK2SRPK3RXRARXRBRXRG
SCHEMBL2931922 0.82 RXRA (0.47) LRRK2RXRARXRBRXRGMRGPRX4
SCHEMBL1648521 0.82 LRRK2 (0.56) LRRK2PTGER1PTPN1KDM4ERAB9A
SCHEMBL8239331 0.81 LRRK2 (0.58) LRRK2SRPK3RXRARXRBRXRG
SCHEMBL5628371 0.81 LRRK2 (0.58) LRRK2SRPK3RXRARXRBRXRG
SCHEMBL1647807 0.81 MAOA (0.52) LRRK2KDM4ERAB9AKMT2A
SCHEMBL4422888 0.80 RXRA (0.58) LRRK2RXRARXRBRXRGMRGPRX4
SCHEMBL8243758 0.79 LRRK2 (0.58) LRRK2SRPK3RXRARXRBRXRG
SCHEMBL1646547 0.79 HTT (0.57) LRRK2MRGPRX4KDM4EKMT2A

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 LRRK2 1/4885SRPK3 443/4885RXRA 4638/4885

“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.