SCHEMBL19508497

SCHEMBL19508497

CCCCCCCOC[C@H](NC)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 7/20 0.54
▸ CES2 O00748 1/20 0.50
▸ USP2 O75604 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ EPHX1 P07099 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LPAR5 Q9H1C0 1/20 0.44
▸ TLR2 O60603 3/20 0.43
▸ LPAR1 Q92633 2/20 0.43
▸ LPAR3 Q9UBY5 2/20 0.43
▸ SPHK1 Q9NYA1 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
SCHEMBL25361277 0.79 PLA2G2C (0.41) PLA2G2CCES2USP2HTTCYP1A2
SCHEMBL14234769 0.79 PLA2G2C (0.41) PLA2G2CCES2USP2HTTCYP1A2
SCHEMBL22790487 0.79 ALDH1A1 (0.44) PLA2G2C
SCHEMBL25361274 0.79 PLA2G2C (0.41) PLA2G2CCES2USP2HTTCYP1A2
SCHEMBL16174169 0.77 ALDH1A1 (0.35) —
SCHEMBL9544161 0.77 PLA2G2C (0.63) PLA2G2CCES2USP2HTTTLR2
SCHEMBL9544167 0.77 PLA2G2C (0.63) PLA2G2CCES2USP2HTTTLR2
SCHEMBL8206127 0.77 MAPT (0.58) CYP3A4LPAR5LPAR1LPAR3
SCHEMBL12642020 0.77 NAAA (0.53) EPHX1
SCHEMBL28421813 0.77 CES2 (0.55) PLA2G2CCES2USP2HTTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170304403-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE IPSEN PHARMA S.A.S. (FR) 2017-10-26 — — US 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-20170304403-A1 METHOD FOR INHIBITING INFLAMMATION and PRO-INFLAMMATORY CYTOKINE/CHEMOKINE EXPRESSION USING A GHRELIN ANALOGUE PROKR1, CCL2, PROKR2 PLA2G2C 2471/4885CES2 4029/4885USP2 3301/4885

“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.

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