SCHEMBL6824043

SCHEMBL6824043

Clc1ccc(Oc2ccc(CBr)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
MAOA P21397 1/20 0.52
S1PR5 Q9H228 1/20 0.44
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
APP P05067 1/20 0.42
IDO1 P14902 3/20 0.41
AGXT P21549 2/20 0.41
LTA4H P09960 4/20 0.41
PTGS2 P35354 1/20 0.41
EPHX2 P34913 1/20 0.41
ST14 Q9Y5Y6 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
SCHEMBL5885219 0.88 ST14 (0.48) LTA4HST14
SCHEMBL1766 0.85
SCHEMBL1563522 0.85 CARM1 (0.46) MAOBMAOAS1PR5PPARGPPARA
SCHEMBL4358863 0.83 IDO1 (0.50) MAOBIDO1AGXT
SCHEMBL11026325 0.83 IDO1 (0.50) MAOBIDO1AGXT
SCHEMBL9293968 0.83 MAOB (0.48) MAOBMAOAS1PR5PPARGPPARA
SCHEMBL30302090 0.82 MAOA (0.44) MAOBMAOAS1PR5PPARGPPARA
SCHEMBL20566300 0.82 MAOA (0.44) MAOBMAOAS1PR5PPARGPPARA
SCHEMBL10870044 0.81 MAOB (0.56) MAOBMAOAS1PR5PPARGPPARA
SCHEMBL9428779 0.81 LPAR1 (0.44) MAOBST14

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
WO-2014095249-A1 FUNGICIDAL IMIDAZOLYL AND TRIAZOLYL COMPOUNDS BASF SE (DE) 2014-06-26 WO disclosed
CN-1523958-A Pesticide compositions comprising malononitrile compounds ס�ѻ�ѧ��ҵ��ʽ���� 2004-08-25 CN disclosed
US-20040142821-A1 Pesticide composition comprising malononitrile compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-22 US disclosed
EP-1385377-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
WO-2002089579-A1 PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 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-20040142821-A1 Pesticide composition comprising malononitrile compounds CBR1, CBR3, ME1 MAOB 4093/4885MAOA 4042/4885S1PR5 2132/4885

“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.