SCHEMBL18378239

SCHEMBL18378239

CC(C)C([O])c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
GSK3B P49841 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CNR1 P21554 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
TPMT P51580 1/20 0.32
TYR P14679 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL18243011 0.79 ACACB (0.41) ACACBGSK3BCYP1A2CYP2D6CNR1
SCHEMBL18242442 0.77 CHRNA7 (0.42) CES2CES1
SCHEMBL18242046 0.77 CYP1A2 (0.45) CYP1A2CES2CES1
SCHEMBL18378426 0.75 ADRB2 (0.52) CES2CES1
SCHEMBL18242519 0.75 AOC3 (0.39) CES2CES1
SCHEMBL13043861 0.74 ACACB (0.37) ACACBGSK3BCYP1A2CYP2D6CA1
SCHEMBL2389301 0.74 GSK3B (0.39) ACACBGSK3BCYP1A2CYP2D6CNR1
SCHEMBL3381285 0.74 TAAR1 (0.44) CYP2D6PMP22CES2CES1
SCHEMBL18242033 0.73 SLC6A3 (0.37) CYP2D6CA1CA2TYR
SCHEMBL672518 0.73 ESR1 (0.52) ACACBGSK3BCYP1A2CYP2D6CA1

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 ACACB 2234/4885GSK3B 4293/4885CYP1A2 360/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ACACB 2234/4885GSK3B 4293/4885CYP1A2 360/4885

“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.