SCHEMBL18243458

SCHEMBL18243458

CCCc1ccccc1C([O])CC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CYSLTR2 Q9NS75 9/20 0.39
CYSLTR1 Q9Y271 9/20 0.39
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TSHR P16473 1/20 0.35
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL18378474 0.89 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL18242795 0.86 ADRA2A (0.42) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL18242473 0.85 GABRA1 (0.44) CYSLTR2CYSLTR1GABRA1GABRB2TSHR
SCHEMBL7643940 0.82 ADRA2A (0.44) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL18377997 0.78 ADRA2A (0.42) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL18242027 0.78 GABRA1 (0.41) CYSLTR2CYSLTR1GABRA1GABRB2PPARA
SCHEMBL19254463 0.78 TSHR (0.55) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL4843352 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL9621039 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1
SCHEMBL18892673 0.76 LMNA (0.47) ADRA2AADRA2BADRA2CCYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 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 (2 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ADRA2A 476/4885ADRA2B 1291/4885ADRA2C 1281/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ADRA2A 476/4885ADRA2B 1291/4885ADRA2C 1281/4885

“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.