SCHEMBL2399470

SCHEMBL2399470

CCCc1ccc2ccc(O)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
TLR8 Q9NR97 3/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALOX5 P09917 1/20 0.39
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35

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
SCHEMBL21863360 0.87 CNR1 (0.47) CNR1CNR2TLR8ALOX5LPL
SCHEMBL10710274 0.86 TLR8 (0.53) TLR8CYP3A4HIF1AHSD17B10
SCHEMBL13349518 0.79 HSD17B10 (0.44) MTNR1AMTNR1BHSD17B10
SCHEMBL14103941 0.76 NCF1 (0.48) CNR1CNR2TLR8MTNR1AMTNR1B
SCHEMBL5573435 0.75 CNR1 (0.35) CNR1CNR2TLR8MTNR1AALOX5
SCHEMBL10710684 0.74 BDKRB2 (0.37) TLR8ALOX5CYP3A4TSHR
SCHEMBL6114416 0.73 ALDH1A1 (0.55) CNR1CNR2MEN1POLBKMT2A
SCHEMBL7193556 0.73 CNR1 (0.54) CNR1CNR2ALOX5LPLLIPG
SCHEMBL31593166 0.73 CNR1 (0.54) CNR1CNR2ALOX5LPLLIPG
SCHEMBL12829201 0.72 CYP1A2 (0.48) MEN1POLBGAAKMT2ATSHR

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
US-9211533-B2 Organic metal complex and process for preparing amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-12-15 US disclosed
EP-2228377-B1 Novel organometallic complex and process for preparing amine compound KANTO KAGAKU (JP) 2014-07-30 EP disclosed
US-20130338359-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-12-19 US disclosed
US-8481735-B2 Organic metal complex and process for preparing amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-07-09 US disclosed
US-20110220837-A1 SOLVENT-DISPERSIBLE PARTICLE HOYA CORPORATION (JP) 2011-09-15 US disclosed
US-20100234596-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2228377-A1 Novel organometallic complex and process for preparing amine compound Kanto Kagaku Kabushiki Kaisha (JP) 2010-09-15 EP 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 (2 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-20130338359-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND ODC1, AOC2, AOC1 CNR1 2642/4885CNR2 2725/4885TLR8 4589/4885
US-20100234596-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND ODC1, AOC2, AOC1 CNR1 2642/4885CNR2 2725/4885TLR8 4589/4885

“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.