SCHEMBL1961843

SCHEMBL1961843

Cc1cccc(C(F)(c2cccc(C)n2)c2cccc(Br)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.40
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
GAA P10253 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL955807 0.88 CCR1 (0.48) GRM5CCR1CCR8NOS3NOS2
SCHEMBL955898 0.88 PGK1 (0.38) GABRA1GABRG2GABRB3GABRA3PGK1
SCHEMBL1959772 0.81 GRM5 (0.43) GRM5CCR1CCR8NOS3NOS2
SCHEMBL1960817 0.79 GRM5 (0.38) GRM5CCR1CCR8NOS3NOS2
SCHEMBL29692491 0.77
SCHEMBL103431 0.77
SCHEMBL1437359 0.76 IDH1 (0.37) GRM5GABRA1GABRG2GABRB3GABRA3
SCHEMBL5646151 0.76 GABRA1 (0.36) GRM5GABRA1GABRG2GABRB3GABRA3
SCHEMBL30041313 0.76 GABRA1 (0.36) GRM5GABRA1GABRG2GABRB3GABRA3
SCHEMBL31078226 0.76 IDH1 (0.37) GRM5GABRA1GABRG2GABRB3GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9634268-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2017-04-25 US disclosed
US-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-11-15 US disclosed
WO-2011066898-A1 ELECTRONIC DEVICE CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-06-09 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-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES AP1M1, EXOC1, EMC1 GRM5 1556/4885CCR1 1099/4885CCR8 3153/4885

“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.