SCHEMBL18241908

SCHEMBL18241908

CCCC([O])c1ccc(C)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 1/20 0.35
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPA1 O75762 1/20 0.34
LMNA P02545 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL18242696 0.84 TAS1R3 (0.40) SMN1; SMN2TAS1R3TAS1R1TAS1R2TP53
SCHEMBL10822145 0.80 TP53 (0.46) SMN1; SMN2TAS1R3TAS1R1TAS1R2TP53
SCHEMBL6055266 0.77 PDE5A (0.40) SMN1; SMN2TAS1R3TAS1R1TAS1R2TP53
SCHEMBL5610172 0.76 ESR1 (0.43) SMN1; SMN2CHRM1SLC6A2ADRA1AHTR2B
SCHEMBL6207353 0.75 SRC (0.46) SMN1; SMN2TAS1R3TAS1R1TAS1R2TDP1
SCHEMBL8376907 0.74 TAS1R3 (0.32) TAS1R3TAS1R1
SCHEMBL8750443 0.74 TAS1R3 (0.36) SMN1; SMN2TAS1R3TAS1R1TAS1R2TP53
SCHEMBL18007052 0.74 TLR8 (0.34) TP53TDP1TRPA1LMNACHRM1
SCHEMBL18243695 0.74 SMN1; SMN2 (0.33) SMN1; SMN2TAS1R3TAS1R1SLC6A2KMT2A
SCHEMBL1611999 0.73 TAS1R3 (0.33) SMN1; SMN2TAS1R3TAS1R1TAS1R2TP53

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 SMN1; SMN2 3268/4885TAS1R3 1848/4885TAS1R1 1815/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 SMN1; SMN2 3268/4885TAS1R3 1848/4885TAS1R1 1815/4885

“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.