SCHEMBL18242771

SCHEMBL18242771

C[CH]c1c(CC)cccc1CC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 4/20 0.50
MGLL Q99685 1/20 0.35
PDK2 Q15119 1/20 0.35
KCNH2 Q12809 2/20 0.34
SCN5A Q14524 2/20 0.34
CTSB P07858 1/20 0.34
HTR1A P08908 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DAO P14920 1/20 0.33
CACNA1C Q13936 1/20 0.33
CLCN2 P51788 1/20 0.32

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
SCHEMBL29249250 0.81 GABRA1 (0.52) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL18243959 0.80 DAO (0.36) GABRA1GABRB2DAO
SCHEMBL26707956 0.80 GABRA1 (0.46) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL29078453 0.80 GABRA1 (0.46) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL320588 0.79 GABRA1 (0.50) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL18243445 0.79 GABRA1 (0.50) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL1363486 0.79 GABRA1 (0.50) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL10495645 0.77 GABRA1 (0.48) GABRA1GABRB2MGLLPDK2KCNH2
SCHEMBL677763 0.77 CYP3A4 (0.42) MAPT
SCHEMBL11745960 0.75 GABRA1 (0.46) GABRA1GABRB2MGLLPDK2KCNH2

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-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
CN-105764885-A Acid- and radical-generating agent and method for generating acid and radical 和光纯药工业株式会社 2016-07-13 CN 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 GABRA1 924/4885GABRB2 2041/4885MGLL 2557/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885MGLL 2557/4885

“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.