SCHEMBL19086450

SCHEMBL19086450

CC(I)(CCCCCI)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
CPT2 P23786 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACLY P53396 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TBXAS1 P24557 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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
SCHEMBL27419488 0.83 GGPS1 (0.47) FFAR1TDP1TSHRALDH1A1
SCHEMBL31279948 0.82 FFAR1 (0.43) FFAR1CPT2TDP1ACLYACACB
SCHEMBL31280480 0.82 FFAR1 (0.43) FFAR1CPT2TDP1ACLYACACB
SCHEMBL7161723 0.80 ACLY (0.61) FFAR1CPT2TDP1ACLYACACB
SCHEMBL4035472 0.80 ACLY (0.61) FFAR1CPT2TDP1ACLYACACB
SCHEMBL27754242 0.80 ACLY (0.61) FFAR1CPT2TDP1ACLYACACB
SCHEMBL31280652 0.79 FFAR1 (0.39) FFAR1CPT2TDP1ACLYACACB
SCHEMBL31096475 0.78 ALDH1A1 (0.42) FFAR1CPT2TDP1ACLYACACB
SCHEMBL5795040 0.77 ACLY (0.57) FFAR1CPT2TDP1ACLYACACB
SCHEMBL18937039 0.77 CA2 (0.41) FFAR1TDP1TSHRALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190131-B1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER UNIV KYOTO (JP) 2020-07-29 EP disclosed
US-10414848-B2 Living radical polymerization initiator, method for producing polymer, and polymer KYOTO UNIVERSITY (JP) 2019-09-17 US disclosed
US-20170306073-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER KYOTO UNIVERSITY (JP) 2017-10-26 US disclosed
EP-3190131-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER Kyoto University (JP) 2017-07-12 EP 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-10414848-B2 Living radical polymerization initiator, method for producing polymer, and polymer CCNY, MTR, PARN FFAR1 1324/4885CPT2 1638/4885TDP1 2326/4885
US-20170306073-A1 LIVING RADICAL POLYMERIZATION INITIATOR, METHOD FOR PRODUCING POLYMER, AND POLYMER CCNY, MTR, PARN FFAR1 1324/4885CPT2 1638/4885TDP1 2326/4885

“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.