SCHEMBL18242587

SCHEMBL18242587

CCCC([O])c1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
HDAC2 Q92769 2/20 0.36
HDAC1 Q13547 1/20 0.36
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
TACR1 P25103 1/20 0.32
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AOC3 Q16853 1/20 0.32
IDO1 P14902 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31

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
SCHEMBL18380187 0.85 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4HDAC2HDAC1
SCHEMBL18378352 0.79 PARP1 (0.41) SLC6A2SLC6A4IDO1
SCHEMBL18242949 0.79 TAS1R3 (0.45) SLC6A3SLC6A2SLC6A4AOC3TAS1R3
SCHEMBL18243567 0.78 PTGS2 (0.40) SLC6A3SLC6A2SLC6A4CYP2D6CYP3A4
SCHEMBL18244098 0.78 OPRM1 (0.43) AOC3
SCHEMBL18243010 0.78 HDAC4 (0.42) SLC6A2SLC6A4AOC3IDO1HDAC4
SCHEMBL18242730 0.76 GRIN2D (0.37)
SCHEMBL18242704 0.76 SLC6A4 (0.39) SLC6A3SLC6A2SLC6A4CYP2D6CYP1A2
SCHEMBL432757 0.76 AOC3 (0.46) LMNASMN1; SMN2AOC3
SCHEMBL18243393 0.74 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4HDAC2CYP2D6

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 SLC6A3 3704/4885SLC6A2 3988/4885SLC6A4 4116/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 SLC6A3 3704/4885SLC6A2 3988/4885SLC6A4 4116/4885

“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.