SCHEMBL1648089

SCHEMBL1648089

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
TACR2 P21452 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
LRRK2 Q5S007 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
CCR5 P51681 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL1647752 0.89 MRGPRX4 (0.52) LMNAHTTTACR2MAOAMAOB
SCHEMBL1647807 0.87 MAOA (0.52) LMNAHTTTACR2MAOAMAOB
SCHEMBL1646590 0.84 LRRK2 (0.58) LMNAHTTMAOAMAOBMRGPRX4
SCHEMBL1315281 0.82 ALDH1A1 (0.59) LMNAHTTMAOAMAOBALDH1A1
SCHEMBL2931922 0.81 RXRA (0.47) TACR2MAOBMRGPRX4LRRK2ALDH1A1
SCHEMBL5788379 0.80 NPC1 (0.55) TACR2ALDH1A1POLBHPGDMEN1
SCHEMBL5217272 0.77 TACR2 (0.57) LMNAHTTTACR2MAOAMAOB
SCHEMBL5216251 0.77 TACR2 (0.57) LMNAHTTTACR2MAOAMAOB
SCHEMBL1648534 0.77 LRRK2 (0.58) LRRK2
SCHEMBL2927947 0.77 ALDH1A1 (0.56) MAOBALDH1A1POLBHPGDCCR5

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 LMNA 2250/4885HTT 110/4885TACR2 3562/4885

“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.