SCHEMBL6835632

SCHEMBL6835632

CCC(C)Oc1ccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)n(C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ALB P02768 3/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
KDM1A O60341 3/20 0.36
ROCK2 O75116 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PLK1 P53350 2/20 0.35
CCR9 P51686 1/20 0.35
NTRK1 P04629 1/20 0.35
MAOA P21397 1/20 0.35
BRPF1 P55201 1/20 0.35
CTSL P07711 1/20 0.34

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
SCHEMBL6835702 0.87 MAPT (0.47) ALBMAPTLMNATP53KDM4E
SCHEMBL6814917 0.86 AKR1C2 (0.48) ALBMAPTLMNAKDM1ATP53
SCHEMBL6834194 0.84 SRD5A2 (0.52) ALBKDM1AROCK2MAOACTSL
SCHEMBL6833876 0.83 KDM1A (0.49) ALBKDM1AMAOARCOR1
SCHEMBL6835752 0.82 KDM1A (0.48) ALBKDM1AMAOARCOR1
SCHEMBL6708703 0.81 ROCK2 (0.35) TRPA1MAPTLMNAKDM1AROCK2
SCHEMBL6711922 0.80 LMNA (0.34) TRPA1MAPTLMNAKDM1AROCK2
SCHEMBL6818878 0.80 ALB (0.56) TRPA1ALBMAPTLMNAKDM1A
SCHEMBL6818253 0.79 ROCK2 (0.42) TRPA1ALBMAPTLMNAROCK2
SCHEMBL6817988 0.79 NAMPT (0.43) ALBROCK2KDM4EALDH1A1

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 claimed

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 TRPA1 377/4885ALB 1417/4885MAPT 4759/4885

“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.