SCHEMBL22919640

SCHEMBL22919640

CCCCCCCCCCCCCCCCCCCCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
EPHX1 P07099 1/20 0.42
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PRKCA P17252 1/20 0.40
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7278773 1.00 NAAA (0.44) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL2037671 0.98 NAAA (0.42) NAAAEPHX1TSHRALDH1A1LMNA
Bicarbonate SCHEMBL27875196 0.95 NAAA (0.40) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL12903327 0.94 NAAA (0.40) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL13541624 0.93 ALDH1A1 (0.42) NAAATSHRALDH1A1LMNACYP3A4
SCHEMBL13748507 0.92 ALOX12 (0.38) NAAATSHRALDH1A1PRKCACYP3A4
SCHEMBL1949595 0.92 ALOX12 (0.38) NAAATSHRALDH1A1PRKCACYP3A4
SCHEMBL9927889 0.92 FAAH (0.46) LMNAPRKCANPSR1MAPT
SCHEMBL5821258 0.91 KMT2A (0.41) NAAAEPHX1TSHRALDH1A1LMNA
SCHEMBL863059 0.91 KMT2A (0.41) NAAAEPHX1TSHRALDH1A1LMNA

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-20210163934-A1 BBB-PASSING LIPID LIGAND OF HETERO NUCLEIC ACID NATIONAL UNIVERSITY CORPORATION TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2021-06-03 US disclosed
EP-3770257-A1 BBB-PASSING LIPID LIGAND OF HETERO NUCLEIC ACID National University Corporation Tokyo Medical and Dental University (JP) 2021-01-27 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 (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-20210163934-A1 BBB-PASSING LIPID LIGAND OF HETERO NUCLEIC ACID LDLR, FABP7, APOB NAAA 2139/4885EPHX1 1226/4885TSHR 2685/4885

“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.