SCHEMBL6835616

SCHEMBL6835616

CC(Oc1ccccc1-c1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)no1)C1CCCCC1.CCC(C)Oc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1.CCCCOc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.42
FAAH O00519 2/20 0.42
MET P08581 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL6830586 0.82 NPC1 (0.47) CNR2FAAHNPC1RAB9AMAPT
SCHEMBL6835632 0.78 TRPA1 (0.39) MAPTMEN1TSHRKMT2AHSD17B10
SCHEMBL6814917 0.77 AKR1C2 (0.48) MAPTAKR1C2AKR1C1BCL2MCL1
SCHEMBL6819126 0.75 HSD17B10 (0.48) NPC1RAB9AMAPTMEN1TSHR
SCHEMBL6818312 0.74 HSD17B10 (0.45) CNR2NPC1RAB9AMAPTMEN1
SCHEMBL6818318 0.74 CNR2 (0.56) CNR2FAAHNPC1RAB9AMAPT
SCHEMBL6833783 0.74 HSD17B10 (0.49) NPC1RAB9AMAPTMEN1TSHR
SCHEMBL6818527 0.74 CNR2 (0.56) CNR2FAAHNPC1RAB9AMEN1
SCHEMBL6818638 0.73 KDM4E (0.50) NPC1RAB9AMAPTMEN1TSHR
SCHEMBL6817920 0.73 HSD17B10 (0.46) CNR2FAAHNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CNR2 3495/4885FAAH 737/4885MET 3718/4885

“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.