SCHEMBL6270975

SCHEMBL6270975

Cn1c(/C=C/c2ccc(C#N)cc2C(=O)O)cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 1.00
MCL1 Q07820 1/20 0.43
TRPA1 O75762 1/20 0.40
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
MAOB P27338 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PIN1 Q13526 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOTUM Q6P988 1/20 0.36
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
DAO P14920 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
SCHEMBL6262748 1.00 ALB (1.00) ALBMCL1TRPA1GRIN2DGRIN3B
SCHEMBL6274908 0.88 ALB (0.78) ALBMCL1TRPA1GRIN2DGRIN3B
SCHEMBL6274906 0.88 ALB (0.78) ALBMCL1TRPA1GRIN2DGRIN3B
SCHEMBL6636740 0.76 ALB (0.61) ALBMCL1TRPA1GRIN2DGRIN3B
SCHEMBL6636737 0.76 ALB (0.61) ALBMCL1TRPA1GRIN2DGRIN3B
SCHEMBL6818878 0.72 ALB (0.56) ALBMCL1TRPA1MEN1KMT2A
SCHEMBL7326492 0.70 MCL1 (0.54) ALBMCL1GRIN2DGRIN3BGRIN1
SCHEMBL7326486 0.70 MCL1 (0.54) ALBMCL1GRIN2DGRIN3BGRIN1
SCHEMBL6995099 0.69 ADORA2A (0.56) ALBMCL1TRPA1GRIN2DGRIN3B
SCHEMBL6995096 0.69 ADORA2A (0.56) ALBMCL1TRPA1GRIN2DGRIN3B

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
EP-1583965-A1 METHOD FOR DETERMINING MOLECULAR AFFINITIES FOR HUMAN SERUM ALBUMIN Pharmacia & Upjohn Company LLC (US) 2005-10-12 EP claimed
US-20050003449-A1 Method for determining molecular affinities for human serum albumin PHARMACIA & UPJOHN COMPANY 2005-01-06 US claimed
WO-2004063749-A1 METHOD FOR DETERMINING MOLECULAR AFFINITIES FOR HUMAN SERUM ALBUMIN PHARMACIA & UPJOHN COMPANY LLC (US) 2004-07-29 WO claimed
EP-1583965-A1 METHOD FOR DETERMINING MOLECULAR AFFINITIES FOR HUMAN SERUM ALBUMIN Pharmacia & Upjohn Company LLC (US) 2005-10-12 EP disclosed
US-20050003449-A1 Method for determining molecular affinities for human serum albumin PHARMACIA & UPJOHN COMPANY 2005-01-06 US disclosed
WO-2004063749-A1 METHOD FOR DETERMINING MOLECULAR AFFINITIES FOR HUMAN SERUM ALBUMIN PHARMACIA & UPJOHN COMPANY LLC (US) 2004-07-29 WO disclosed
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 ALB 1417/4885MCL1 2086/4885TRPA1 377/4885

“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.