SCHEMBL2940140

SCHEMBL2940140

CCCCCCC(C(C)=O)P(=O)(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.43
FDPS P14324 5/20 0.43
PLA2G2A P14555 1/20 0.41
LAP3 P28838 1/20 0.41
FAAH O00519 1/20 0.41
LPAR3 Q9UBY5 3/20 0.39
GPR84 Q9NQS5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
FFAR1 O14842 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39

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
SCHEMBL2941260 0.98 FDPS (0.41) SMPD1FDPSPLA2G2ALAP3FAAH
SCHEMBL2940482 0.93 FDPS (0.39) SMPD1FDPS
SCHEMBL5326687 0.86 GPR84 (0.47) SMPD1FDPSLAP3GPR84FFAR1
SCHEMBL4229201 0.86 GPR84 (0.47) SMPD1FDPSLAP3GPR84FFAR1
SCHEMBL13924959 0.86 GPR84 (0.47) SMPD1FDPSLAP3GPR84FFAR1
SCHEMBL3107682 0.85 SMPD1 (0.42) SMPD1FDPSPLA2G2ALAP3LPAR3
SCHEMBL3674519 0.85 SMPD1 (0.42) SMPD1FDPSPLA2G2ALAP3LPAR3
SCHEMBL9234014 0.85 SMPD1 (0.42) SMPD1FDPSPLA2G2ALAP3LPAR3
SCHEMBL3147647 0.83 FDPS (0.40) SMPD1FDPSPLA2G2ALAP3LPAR3
SCHEMBL9000615 0.83 POLB (0.42) SMPD1FDPSPLA2G2ALAP3LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113460-A1 Organic Compounds GIVAUDAN SA (CH) 2010-05-06 US disclosed
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions GIVAUDAN SA (CH) 2010-05-06 US disclosed
EP-2152658-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2010-02-17 EP disclosed
EP-2139354-A2 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008116339-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-02 WO disclosed
WO-2008116338-A2 ORGANIC COMPOUNDS AND COMPOSITIONS HAVING THE ABILITY TO MODULATE FRAGRANCE COMPOSITIONS GIVAUDAN SA (CH) 2008-10-02 WO 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-20100113460-A1 Organic Compounds CYP2B6, CYP2A6, CYP2A13 SMPD1 1755/4885FDPS 233/4885PLA2G2A 1365/4885
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 SMPD1 1679/4885FDPS 239/4885PLA2G2A 1192/4885

“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.