SCHEMBL9965339

SCHEMBL9965339

NCCCOc1ccc(CO)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
LTA4H P09960 2/20 0.48
TAAR1 Q96RJ0 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
PRSS1 P07477 1/20 0.42

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
Hydrochloric Acid SCHEMBL17557724 0.98 HRH3 (0.51) HRH3ITGB3ITGA2BLTA4HPRSS1
SCHEMBL13073181 0.94 ITGB3 (0.55) HRH3ITGB3ITGA2BLTA4HPRSS1
SCHEMBL26961928 0.92 ITGB3 (0.58) HRH3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL29796753 0.90 ITGB3 (0.56) HRH3ITGB3ITGA2BPRSS1
SCHEMBL10488336 0.89 LTA4H (0.60) HRH3LTA4HTAAR1KEAP1NFE2L2
SCHEMBL8545935 0.87 HRH3 (0.59) HRH3LTA4HPRSS1
SCHEMBL16902877 0.87 HRH3 (0.59) HRH3LTA4HPRSS1
Trifluoroacetic Acid SCHEMBL9936935 0.85 CA12 (0.59) ITGB3ITGA2B
SCHEMBL8369936 0.85 HRH3 (0.58) HRH3LTA4HPRSS1
SCHEMBL16902874 0.85 HRH3 (0.58) HRH3LTA4HPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 US disclosed
US-20140010762-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2014-01-09 US disclosed
WO-2012080705-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2012-06-21 WO 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-20140010762-A1 IMAGING AGENTS CES1, CES2, NCEH1 HRH3 1152/4885ITGB3 2102/4885ITGA2B 3447/4885

“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.