SCHEMBL2393546

SCHEMBL2393546

C#CC(O)CCCCC.C#CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.38
GPR84 Q9NQS5 4/20 0.36
SPHK1 Q9NYA1 2/20 0.36
FFAR1 O14842 1/20 0.36
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
CYP2D6 P10635 2/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 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
SCHEMBL235985 0.91
SCHEMBL134483 0.91
SCHEMBL766022 0.91
SCHEMBL15283559 0.89 GPR84 (0.45) HMGCRGPR84SPHK1FFAR1CYP3A4
SCHEMBL6285996 0.89 GPR84 (0.45) HMGCRGPR84SPHK1FFAR1CYP3A4
SCHEMBL9793919 0.89 GPR84 (0.45) HMGCRGPR84SPHK1FFAR1CYP3A4
SCHEMBL12994143 0.89 GPR84 (0.45) HMGCRGPR84SPHK1FFAR1CYP3A4
SCHEMBL15283585 0.89 GPR84 (0.45) HMGCRGPR84SPHK1FFAR1CYP3A4
SCHEMBL1293252 0.89 GPR84 (0.45) HMGCRGPR84SPHK1FFAR1CYP3A4
SCHEMBL996234 0.89 GPR84 (0.45) HMGCRGPR84SPHK1FFAR1CYP3A4

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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-15 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-20110224340-A1 Method for Producing Mono-Vinylfunctionalized Dialkylphosphinic Acids, Salts and Esters Thereof, and the Use Thereof ACSL1, ACSL3, HACL2 HMGCR 500/4885GPR84 2938/4885SPHK1 440/4885

“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.