SCHEMBL3946030

SCHEMBL3946030

CCCCCC(O)[C](C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.58
FFAR1 O14842 2/20 0.58
SPHK1 Q9NYA1 2/20 0.46
LMNA P02545 2/20 0.46
OPRM1 P35372 1/20 0.43
CYP2D6 P10635 2/20 0.43
MAPT P10636 2/20 0.43
GMNN O75496 1/20 0.43
POLB P06746 1/20 0.43
THPO P40225 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CETP P11597 1/20 0.43
HTT P42858 1/20 0.43
UBE2N P61088 1/20 0.43
FDPS P14324 1/20 0.42

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
SCHEMBL2019394 0.97 GPR84 (0.62) GPR84FFAR1SPHK1LMNACYP2D6
SCHEMBL10582525 0.97 GPR84 (0.62) GPR84FFAR1SPHK1LMNACYP2D6
SCHEMBL8844301 0.97 GPR84 (0.62) GPR84FFAR1SPHK1LMNACYP2D6
SCHEMBL2549772 0.97 GPR84 (0.62) GPR84FFAR1SPHK1LMNACYP2D6
SCHEMBL3935324 0.97 GPR84 (0.62) GPR84FFAR1SPHK1LMNACYP2D6
SCHEMBL8000460 0.97 GPR84 (0.62) GPR84FFAR1SPHK1LMNACYP2D6
SCHEMBL3942653 0.97 GPR84 (0.62) GPR84FFAR1SPHK1LMNACYP2D6
SCHEMBL8025685 0.97 GPR84 (0.62) GPR84FFAR1SPHK1LMNACYP2D6
SCHEMBL3940037 0.91
SCHEMBL6434578 0.83 GPR84 (0.60) GPR84FFAR1SPHK1LMNAOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046147-B1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-01 EP disclosed
US-20090311403-A1 Method of Using Organic Compounds GIVAUDAN SA (CH) 2009-12-17 US disclosed
EP-2046147-A1 METHOD OF USING ORGANIC COMPOUNDS Givaudan SA (CH) 2009-04-15 EP disclosed
WO-2008011742-A1 METHOD OF USING ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-01-31 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-20090311403-A1 Method of Using Organic Compounds MGLL, GK, LIPC GPR84 529/4885FFAR1 321/4885SPHK1 1070/4885

“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.