SCHEMBL19564431

SCHEMBL19564431

COCCOCC(COCCOC)OCC(O)COC(COCCOC)COCCOC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LPAR5 Q9H1C0 1/20 0.36
▸ LPAR1 Q92633 4/20 0.35
▸ LPAR3 Q9UBY5 4/20 0.35
▸ USP2 O75604 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL14444695 0.84 KDM4E (0.35) LPAR5LPAR1LPAR3USP2HTT
SCHEMBL26555135 0.84 USP2 (0.34) LPAR5LPAR1LPAR3USP2HTT
SCHEMBL7901287 0.84 HSD17B10 (0.44) LPAR5USP2HTTALDH1A1KDM4E
SCHEMBL16020615 0.84 LPAR6 (0.33) LPAR5LPAR1LPAR3USP2LPAR2
SCHEMBL17366591 0.83 USP2 (0.38) LPAR5LPAR1LPAR3USP2HTT
SCHEMBL17366589 0.83 USP2 (0.38) LPAR5LPAR1LPAR3USP2HTT
SCHEMBL16385060 0.82 LPAR1 (0.33) LPAR1LPAR3
SCHEMBL8263940 0.81 HSD17B10 (0.42) LPAR5USP2HTTALDH1A1KDM4E
SCHEMBL16020811 0.81 MAPT (0.35) LPAR5LPAR1LPAR3USP2LPAR2
SCHEMBL6989580 0.81 HSD17B10 (0.42) LPAR5USP2HTTALDH1A1KDM4E

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-20170320830-A1 HYDROPHILIC HIGH QUANTUM YIELD ACRIDINIUM ESTERS WITH IMPROVED STABILITY AND FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS INC. 2017-11-09 — — US disclosed
US-20170320830-A1 HYDROPHILIC HIGH QUANTUM YIELD ACRIDINIUM ESTERS WITH IMPROVED STABILITY AND FAST LIGHT EMISSION SIEMENS HEALTHCARE DIAGNOSTICS INC. 2017-11-09 — — 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-20170320830-A1 HYDROPHILIC HIGH QUANTUM YIELD ACRIDINIUM ESTERS WITH IMPROVED STABILITY AND FAST LIGHT EMISSION ACR, HACD3, FCGR3B LPAR5 4354/4885LPAR1 3669/4885LPAR3 2377/4885

“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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