SCHEMBL669483

SCHEMBL669483

CCCCCCC1CC1(C#N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 3/20 0.36
S1PR3 Q99500 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PPARG P37231 4/20 0.34
PPARD Q03181 4/20 0.34
PPARA Q07869 4/20 0.34
TSHR P16473 3/20 0.34
GPR84 Q9NQS5 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
TLR2 O60603 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
FABP4 P15090 1/20 0.34
ALOX15 P16050 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL26695374 0.74 ALOX5 (0.43) ALOX5ALDH1A1S1PR3PPARGPPARD
SCHEMBL28210664 0.72 GRM2 (0.52) ALOX5
SCHEMBL8240798 0.72 GRM2 (0.52) ALOX5
SCHEMBL28874035 0.72 GRM2 (0.52) ALOX5
SCHEMBL8244081 0.72 GRM2 (0.52) ALOX5
SCHEMBL10073879 0.72 CTSK (0.34) ALDH1A1KMT2A
SCHEMBL10073906 0.72 ALDH1A1 (0.36) ALDH1A1S1PR3TSHR
SCHEMBL11214435 0.70 ALOX5 (0.40) ALOX5ALDH1A1S1PR3
SCHEMBL11136787 0.70 GRM2 (0.53)
SCHEMBL9427415 0.69 ALOX5 (0.46) ALOX5ALDH1A1S1PR3PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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 (1 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA ALOX5 1404/4885ALDH1A1 454/4885S1PR3 4630/4885

“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.