SCHEMBL18243183

SCHEMBL18243183

CCc1cccc(CC)c1C(C)[O]

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.54
GABRB2 P47870 5/20 0.54
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.35
MGLL Q99685 1/20 0.34
CYP2D6 P10635 1/20 0.34
PDK2 Q15119 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ELANE P08246 3/20 0.33
ANPEP P15144 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
SCHEMBL18241979 0.84 GABRA1 (0.43) GABRA1GABRB2ADRA2AADRA2BADRA2C
SCHEMBL9734348 0.82 GABRA1 (0.50) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL10334968 0.82 GABRA1 (0.56) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL18378614 0.81 GABRA1 (0.50) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL18242390 0.81 CYSLTR2 (0.40) GABRA1GABRB2CYP2D6
SCHEMBL23735841 0.78 GABRA1 (0.46) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL18242436 0.78 GABRA1 (0.52) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL18843526 0.78 GABRA1 (0.52) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL21736785 0.78 GABRA1 (0.52) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1
SCHEMBL10334969 0.75 LMNA (0.59) GABRA1GABRB2LMNASMN1; SMN2L3MBTL1

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 GABRA1 924/4885GABRB2 2041/4885LMNA 2963/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885LMNA 2963/4885

“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.