SCHEMBL3270882

SCHEMBL3270882

CCCCOCC(C)[C@H](COCCCC)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.38
LPAR3 Q9UBY5 5/20 0.38
LPAR2 Q9HBW0 2/20 0.38
USP2 O75604 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
TLR2 O60603 2/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33

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
SCHEMBL18589803 0.85 LPAR1 (0.39) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL28837480 0.83 USP2 (0.46) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL14413744 0.83 LPAR1 (0.38) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL17145904 0.80 SPHK1 (0.36) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL16560472 0.80 TSHR (0.44) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL15151965 0.78 TSHR (0.42) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL16627345 0.78 USP2 (0.48) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL16510046 0.78 SPHK1 (0.51) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL17394527 0.78 LPAR1 (0.37) LPAR1LPAR3LPAR2USP2SPHK1
SCHEMBL13314273 0.78 SPHK1 (0.51) LPAR1LPAR3LPAR2USP2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120003260-A1 Solid-Phase and Solution-Phase Synthesis of Glycosylphosphatidylinositol Glycans MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-01-05 US disclosed
US-20110256173-A1 CHEMICAL SYNTHESIS OF PHOSPHATIDYLINOSITOL MANNOSIDE GLYCANS FROM MYCOBACTERIUM TUBERCULOSIS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2011-10-20 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 (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-20110256173-A1 CHEMICAL SYNTHESIS OF PHOSPHATIDYLINOSITOL MANNOSIDE GLYCANS FROM MYCOBACTERIUM TUBERCULOSIS PIM1, PIM3, PIM2 LPAR1 4262/4885LPAR3 4098/4885LPAR2 4511/4885
US-20120003260-A1 Solid-Phase and Solution-Phase Synthesis of Glycosylphosphatidylinositol Glycans GPI, ALG1, FUT5 LPAR1 572/4885LPAR3 340/4885LPAR2 503/4885

“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.