SCHEMBL17413764

SCHEMBL17413764

O=C(O)CCc1ccccc1OCCCCOc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.57
LTB4R Q15722 5/20 0.57
LTB4R2 Q9NPC1 4/20 0.57
DHFR P00374 1/20 0.52
ALDH1A1 P00352 1/20 0.51
PPARA Q07869 2/20 0.51
PPARD Q03181 2/20 0.51
FFAR4 Q5NUL3 1/20 0.51
PPARG P37231 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
KCNA3 P22001 1/20 0.50

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
SCHEMBL17413766 0.98 LTB4R (0.60) FFAR1LTB4RLTB4R2DHFRPPARD
SCHEMBL8081157 0.86 LTB4R (0.67) LTB4RLTB4R2DHFRPPARDPPARG
SCHEMBL3550795 0.85 FFAR1 (0.51) FFAR1LTB4RLTB4R2DHFRALDH1A1
SCHEMBL11668948 0.85 LTB4R (0.69) LTB4RLTB4R2DHFRPPARDPPARG
SCHEMBL19160930 0.85 LTB4R (0.69) LTB4RLTB4R2DHFRPPARDPPARG
SCHEMBL10697320 0.85 LTB4R (0.69) LTB4RLTB4R2DHFRPPARDPPARG
SCHEMBL8084778 0.85 LTB4R (0.69) LTB4RLTB4R2DHFRPPARDPPARG
SCHEMBL8081137 0.85 LTB4R (0.69) LTB4RLTB4R2DHFRPPARDPPARG
SCHEMBL8072582 0.84 LTB4R (0.64) LTB4RLTB4R2DHFRALDH1A1PPARD
SCHEMBL8285810 0.84 LTB4R (0.57) FFAR1LTB4RLTB4R2DHFRPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856278-B2 Lysophosphatidylserine derivative THE UNIVERSITY OF TOKYO (JP) 2018-01-02 US disclosed
US-9856278-B2 Lysophosphatidylserine derivative THE UNIVERSITY OF TOKYO (JP) 2018-01-02 US disclosed
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE THE UNIVERSITY OF TOKYO (JP) 2017-07-27 US disclosed
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE THE UNIVERSITY OF TOKYO (JP) 2017-07-27 US disclosed
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE THE UNIVERSITY OF TOKYO (JP) 2017-07-27 US disclosed
WO-2016002948-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE 国立大学法人東京大学 2016-01-07 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-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE LPAR3, LPAR1, LPAR4 FFAR1 84/4885LTB4R 92/4885LTB4R2 105/4885

“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.