SCHEMBL2940482

SCHEMBL2940482

CCCCC(C(C)=O)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.39
CYP3A4 P08684 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.34
SMPD1 P17405 2/20 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
SCHEMBL2941260 0.95 FDPS (0.41) FDPSSMPD1
SCHEMBL2940140 0.93 SMPD1 (0.43) FDPSSMPD1
SCHEMBL1903133 0.85 CA2 (0.42) FDPSCYP3A4L3MBTL1CYP2C9CYP2C19
SCHEMBL3675752 0.84 POLB (0.43) FDPSCYP3A4L3MBTL1CYP2C9CYP2C19
SCHEMBL3151606 0.84 FDPS (0.38) FDPSCYP3A4L3MBTL1CYP2C9CYP2C19
SCHEMBL10451891 0.82 CA1 (0.49) FDPSCYP3A4L3MBTL1CYP2C9CYP2C19
SCHEMBL28817638 0.80 CYP3A4 (0.40) CYP3A4L3MBTL1CYP2C9CYP2C19CA2
SCHEMBL3147647 0.79 FDPS (0.40) FDPSCA1SMPD1
SCHEMBL13924959 0.79 GPR84 (0.47) FDPSSMPD1
SCHEMBL5326687 0.79 GPR84 (0.47) FDPSSMPD1

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 FDPS 233/4885CYP3A4 10/4885L3MBTL1 4599/4885
US-20100111888-A1 Organic Compounds and Compositions Having the Ability to Modulate Fragrance Compositions CYP2A13, CYP1A1, CYP1B1 FDPS 239/4885CYP3A4 9/4885L3MBTL1 4626/4885

“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.