SCHEMBL3986136

SCHEMBL3986136

BrC1=Cc2ccccc2Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.46
MAOA P21397 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PTGS2 P35354 2/20 0.43
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
MAPT P10636 2/20 0.38
TRPA1 O75762 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
PTPRC P08575 1/20 0.36

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
SCHEMBL5241115 0.75 MTNR1A (0.47) GPR84MAOAMTNR1AMTNR1BPTGS2
SCHEMBL826206 0.74
SCHEMBL1578071 0.73 MAOA (0.42) GPR84MAOAMTNR1AMTNR1BPTGS2
SCHEMBL29714904 0.73 MAOA (0.42) GPR84MAOAMTNR1AMTNR1BPTGS2
SCHEMBL29714906 0.73 MAOA (0.42) GPR84MAOAMTNR1AMTNR1BPTGS2
SCHEMBL7174565 0.72 PTGS2 (0.57) GPR84MAOAMTNR1AMTNR1BPTGS2
SCHEMBL29672905 0.71 PTGS2 (0.67) GPR84MAOAMTNR1AMTNR1BPTGS2
SCHEMBL7180542 0.71 PTGS2 (0.67) GPR84MAOAMTNR1AMTNR1BPTGS2
Fluorene SCHEMBL31388525 0.71 MAOA (0.68) MAOAMAPTKDM4ENPC1ALDH1A1
Fluorene SCHEMBL8180 0.71 MAOA (0.68) MAOAMAPTKDM4ENPC1ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039126-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2011-10-18 US disclosed
EP-1299405-B1 POLYCYCLIC, FUSED RING COMPOUNDS, METAL COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2009-05-13 EP disclosed
US-20090058289-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2009-03-05 US disclosed
US-20050107608-A1 Ligands for use in catalytic processes EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH ETHZ (CH) 2005-05-19 US disclosed
US-6800701-B2 USING COORDINATION CATALYSTS DOW GLOBAL TECHNOLOGIES INC. 2004-10-05 US disclosed
US-20030216529-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2003-11-20 US disclosed
US-6613921-B2 Ligand comprising at least: a cyclopentadienyl ring, a 6,7,or 8 membered ring other than a 6-carbon aromatic ring, and an aromatic ring; said 6, 7, or 8 membered ring, is fused to both the cyclopentadienyl and the aromatic ring DOW GLOBAL TECHNOLOGIES INC. 2003-09-02 US disclosed
US-20020062011-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process DOW GLOBAL TECHNOLOGIES LLC 2002-05-23 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 (4 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-20030216529-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process PIN1, ZC3H18, ORC3 GPR84 4581/4885MAOA 1784/4885MTNR1A 4175/4885
US-20090058289-A1 Materials for Organic Electroluminescent Devices PNMT, TES, TERT GPR84 2480/4885MAOA 21/4885MTNR1A 3132/4885
US-20050107608-A1 Ligands for use in catalytic processes PNKP, ITPA, PLCG2 GPR84 1949/4885MAOA 1611/4885MTNR1A 4216/4885
US-20020062011-A1 Polycyclic, fused ring compounds, metal complexes and polymerization process PIN1, ZC3H18, ORC3 GPR84 4581/4885MAOA 1784/4885MTNR1A 4175/4885

“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.