SCHEMBL6835700

SCHEMBL6835700

COCCn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
ALB P02768 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NTRK1 P04629 1/20 0.43
KDM1A O60341 2/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MCL1 Q07820 2/20 0.39

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
SCHEMBL6834434 0.90 CNR2 (0.50) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6834180 0.89 CNR2 (0.53) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6833794 0.88 CNR2 (0.47) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6830403 0.88 CNR2 (0.55) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6834137 0.86 CNR2 (0.52) CNR2HDAC1ALBALDH1A1TSHR
SCHEMBL6833936 0.85 CNR2 (0.47) CNR2ALBALDH1A1TSHRHTT
SCHEMBL6833257 0.85 HDAC3 (0.49) HDAC3HDAC1ALDH1A1TSHRHTT
SCHEMBL6834081 0.85 CCR2 (0.55) CNR2ALB
SCHEMBL6830750 0.85 HDAC3 (0.49) CNR2HDAC3HDAC1ALDH1A1TSHR
SCHEMBL6818878 0.85 ALB (0.56) CNR2ALBKDM1ATRPA1MAOA

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 3495/4885HDAC3 1562/4885HDAC1 1902/4885

“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.