SCHEMBL25447312

SCHEMBL25447312

O=C(CCCC1CCCCC1)N1CCC1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ ATM Q13315 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ TPSAB1 Q15661 2/20 0.50
▸ TPSD1 Q9BZJ3 2/20 0.50
▸ TPSG1 Q9NRR2 2/20 0.50
▸ FAAH O00519 1/20 0.50
▸ NAAA Q02083 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ITGB3 P05106 2/20 0.49
▸ ITGA2B P08514 2/20 0.49
▸ NPC1 O15118 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
SCHEMBL7371370 0.91 ATM (0.59) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL22940447 0.91 ATM (0.59) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL22602813 0.89 HSD11B1 (0.70) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL3952911 0.85 HSD11B1 (0.70) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL5517503 0.85 HSD11B1 (0.70) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL16365980 0.82 MEN1 (0.48) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL7217209 0.82 TP53 (0.71) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL4688026 0.81 ATM (0.55) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL2677070 0.81 HSD11B1 (0.65) HSD11B1TP53ATMALDH1A1MEN1
SCHEMBL4382097 0.80 KMT2A (0.59) HSD11B1TP53ATMALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 — — 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-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG HSD11B1 1559/4885TP53 3997/4885ATM 1459/4885

“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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