SCHEMBL3147647

SCHEMBL3147647

CCCCCC(C(=O)CC)P(=O)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.40
SMPD1 P17405 3/20 0.40
LAP3 P28838 2/20 0.38
PLA2G2A P14555 1/20 0.35
LPAR3 Q9UBY5 3/20 0.35
GPR84 Q9NQS5 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL3151606 0.95 FDPS (0.38) FDPSSMPD1CA1
SCHEMBL2941260 0.84 FDPS (0.41) FDPSSMPD1LAP3PLA2G2ALPAR3
SCHEMBL5326687 0.83 GPR84 (0.47) FDPSSMPD1LAP3GPR84FFAR1
SCHEMBL9000615 0.83 POLB (0.42) FDPSSMPD1LAP3PLA2G2ALPAR3
SCHEMBL13924959 0.83 GPR84 (0.47) FDPSSMPD1LAP3GPR84FFAR1
SCHEMBL4229201 0.83 GPR84 (0.47) FDPSSMPD1LAP3GPR84FFAR1
SCHEMBL2940140 0.83 SMPD1 (0.43) FDPSSMPD1LAP3PLA2G2ALPAR3
SCHEMBL9234014 0.81 SMPD1 (0.42) FDPSSMPD1LAP3PLA2G2ALPAR3
SCHEMBL3107682 0.81 SMPD1 (0.42) FDPSSMPD1LAP3PLA2G2ALPAR3
SCHEMBL3674519 0.81 SMPD1 (0.42) FDPSSMPD1LAP3PLA2G2ALPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 FDPS 239/4885SMPD1 1679/4885LAP3 1991/4885

“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.