SCHEMBL21204263

SCHEMBL21204263

CCCCCCCC(=O)NCCCCCCOP(=O)(O)OC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.55
LPAR2 Q9HBW0 2/20 0.55
ENPP2 Q13822 1/20 0.55
CASP2 P42575 1/20 0.53
FAAH O00519 3/20 0.51
LPAR3 Q9UBY5 2/20 0.50
NAAA Q02083 1/20 0.50
DNM1 Q05193 2/20 0.49
EPHX2 P34913 3/20 0.48
TSHR P16473 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL21204364 1.00 LPAR1 (0.55) LPAR1LPAR2ENPP2CASP2FAAH
SCHEMBL21204352 1.00 LPAR1 (0.55) LPAR1LPAR2ENPP2CASP2FAAH
SCHEMBL16639380 1.00 LPAR1 (0.55) LPAR1LPAR2ENPP2CASP2FAAH
SCHEMBL18687863 0.93 LPAR1 (0.68) LPAR1LPAR2ENPP2EPHX2SLC6A5
SCHEMBL21204363 0.92 CASP2 (0.56) LPAR1LPAR2ENPP2CASP2LPAR3
SCHEMBL19500013 0.88 SLC6A5 (0.49) LPAR1LPAR2ENPP2LPAR3TSHR
SCHEMBL21204356 0.88 LPAR1 (0.54) LPAR1LPAR2ENPP2CASP2FAAH
SCHEMBL21204365 0.88 LPAR1 (0.54) LPAR1LPAR2ENPP2CASP2FAAH
SCHEMBL9844141 0.88 LPAR1 (0.54) LPAR1LPAR2ENPP2CASP2FAAH
SCHEMBL21887657 0.87 CASP2 (0.54) LPAR1LPAR2ENPP2CASP2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024153-A1 BLOOD-BRAIN BARRIER PERMEABLE HETERODUPLEX NUCLEIC ACID NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2023-01-26 US disclosed
US-20190247414-A1 BLOOD-BRAIN BARRIER PERMEABLE HETERODUPLEX NUCLEIC ACID NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2019-08-15 US disclosed
EP-3517610-A1 BLOOD-BRAIN BARRIER PERMEABLE HETERODUPLEX NUCLEIC ACID National University Corporation Tokyo Medical and Dental University (JP) 2019-07-31 EP 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-20190247414-A1 BLOOD-BRAIN BARRIER PERMEABLE HETERODUPLEX NUCLEIC ACID FABP7, NR2E3, SREBF2 LPAR1 653/4885LPAR2 309/4885ENPP2 1588/4885
US-20230024153-A1 BLOOD-BRAIN BARRIER PERMEABLE HETERODUPLEX NUCLEIC ACID FABP7, NR2E3, SREBF2 LPAR1 653/4885LPAR2 309/4885ENPP2 1588/4885

“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.