SCHEMBL23799321

SCHEMBL23799321

NCCOCCOCCOc1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.49
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLCO1B3 Q9NPD5 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
APP P05067 8/20 0.46
HRH3 Q9Y5N1 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
PLA2G2A P14555 1/20 0.43

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
SCHEMBL10600450 0.90 MAPK1 (0.53) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL10488336 0.88 LTA4H (0.60) LTA4HCYP3A4SMN1; SMN2HRH3TAAR1
SCHEMBL21100939 0.85 KEAP1 (0.55) LTA4HAPPTAAR1PLA2G2A
SCHEMBL15565313 0.85 ALDH1A1 (0.61) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL11649743 0.84 HRH3 (0.56) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL17826365 0.83 LTA4H (0.70) LTA4HSMN1; SMN2HRH3TAAR1PLA2G2A
SCHEMBL9965339 0.82 HRH3 (0.53) LTA4HHRH3TAAR1
SCHEMBL1742085 0.81 APP (0.36) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL23798500 0.81 APP (0.49) LTA4HMEN1USP2ALDH1A1LMNA
SCHEMBL7222898 0.81 LMNA (0.58) LTA4HMEN1USP2ALDH1A1LMNA

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-20240066133-A1 THERAPEUTIC AGENTS AND CONJUGATES THEREOF AJ SCIENCES (YIXING) CO., LTD (CN) 2024-02-29 US disclosed
WO-2021178818-A2 THERAPEUTIC AGENTS AND CONJUGATES THEREOF BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2021-09-10 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-20240066133-A1 THERAPEUTIC AGENTS AND CONJUGATES THEREOF TLR9, STING1, TLR3 LTA4H 996/4885MEN1 1123/4885USP2 3531/4885

“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.