SCHEMBL1646579

SCHEMBL1646579

COc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.57
MTNR1A P48039 3/20 0.56
MTNR1B P49286 2/20 0.56
HDAC8 Q9BY41 1/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
APP P05067 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL29376294 0.88 HDAC8 (0.52) LRRK2MTNR1AMTNR1BHDAC8APP
SCHEMBL2996551 0.88 HDAC8 (0.52) LRRK2MTNR1AMTNR1BHDAC8APP
SCHEMBL1647498 0.87 FOLH1 (0.63) LRRK2MTNR1AMTNR1BHDAC8KDM4E
SCHEMBL8888358 0.86 LRRK2 (0.63) LRRK2MTNR1AMTNR1BHDAC8KDM4E
SCHEMBL23809724 0.85 ALDH1A1 (0.62) KDM4ERAB9ASMN1; SMN2HTTPOLB
SCHEMBL9729812 0.84 LRRK2 (0.57) LRRK2MTNR1AMTNR1BHDAC8KDM4E
SCHEMBL22498421 0.84 NPC1 (0.62) LRRK2MTNR1AMTNR1BHDAC8KDM4E
SCHEMBL1488776 0.84 MEN1 (0.63) HTTALDH1A1
SCHEMBL30785048 0.84 HTT (0.60) LRRK2MTNR1AMTNR1BHDAC8NPC1
SCHEMBL7719669 0.83 TDP1 (0.63) KDM4ENPC1RAB9ASMN1; SMN2HTT

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 7 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
US-3953595-A Substituted benzoic acid hypolipemic agents PFIZER INC. (US) 1976-04-27 US disclosed
US-3937719-A (4-OXO-4H-1-BENZOPYRAN-2-YL)-OXAMIC ACID, SALTS AND ESTERS ANTI-ALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US 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 1/4885MTNR1A 2921/4885MTNR1B 2508/4885

“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.