SCHEMBL2818864

SCHEMBL2818864

CCCCCCCCCCCC(O)CC#N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.48
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TSHR P16473 1/20 0.42
SPHK1 Q9NYA1 2/20 0.42
PSMD14 O00487 2/20 0.42
PLA2G1B P04054 2/20 0.42
MMP2 P08253 2/20 0.42
ATG4B Q9Y4P1 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RAD52 P43351 1/20 0.42
LMNA P02545 2/20 0.41
NFKB1 P19838 1/20 0.41
GMNN O75496 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
BLM P54132 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
SCHEMBL11363078 1.00 GPR84 (0.48) GPR84FFAR1FFAR4TSHRSPHK1
SCHEMBL2818859 1.00 GPR84 (0.48) GPR84FFAR1FFAR4TSHRSPHK1
SCHEMBL15153583 1.00 GPR84 (0.48) GPR84FFAR1FFAR4TSHRSPHK1
SCHEMBL3501372 1.00 GPR84 (0.48) GPR84FFAR1FFAR4TSHRSPHK1
SCHEMBL8402045 1.00 GPR84 (0.48) GPR84FFAR1FFAR4TSHRSPHK1
SCHEMBL4977789 1.00 GPR84 (0.48) GPR84FFAR1FFAR4TSHRSPHK1
SCHEMBL5480087 0.98 GPR84 (0.45) GPR84FFAR1FFAR4TSHRSPHK1
SCHEMBL3501156 0.91
SCHEMBL15153431 0.83 TSHR (0.54) GPR84FFAR1FFAR4TSHRSPHK1
SCHEMBL19039336 0.83 TSHR (0.54) GPR84FFAR1FFAR4TSHRSPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203434-B1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI HOLDINGS CO LTD (KR) 2012-08-29 EP disclosed
US-8242288-B2 Method of preparing (6R)-3-hexyl-4-hydroxy-6-undecyl-5, 6-dihydropyran-2-one, and intermediate used in the method HANMI HOLDINGS CO., LTD. (KR) 2012-08-14 US disclosed
US-20100274029-A1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5, 6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI PHARM. CO., LTD. (KR) 2010-10-28 US disclosed
EP-2203434-A2 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD Hanmi Pharm. Co., Ltd. (KR) 2010-07-07 EP disclosed
WO-2009057938-A2 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5,6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD HANMI PHARM. CO., LTD. (KR) 2009-05-07 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-20100274029-A1 METHOD OF PREPARING (6R)-3-HEXYL-4-HYDROXY-6-UNDECYL-5, 6-DIHYDROPYRAN-2-ONE, AND INTERMEDIATE USED IN THE METHOD DHCR7, DHPS, CYP8B1 GPR84 4041/4885FFAR1 179/4885FFAR4 182/4885

“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.