SCHEMBL6999817

SCHEMBL6999817

CC1OC1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP2A13 Q16696 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.33
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
MGLL Q99685 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.30

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
Fluoride SCHEMBL11256207 0.86 TP53 (0.36) TP53
SCHEMBL23241046 0.76 TP53 (0.33) TP53
SCHEMBL26029528 0.76 TP53 (0.33) TP53
SCHEMBL22539871 0.74 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2ACHETP53MGLL
SCHEMBL26469125 0.74 KDM4E (0.33) TP53
SCHEMBL19773458 0.72 CYP2A13 (0.38) ALDH1A1CYP2A13HPGDSMN1; SMN2ACHE
SCHEMBL25702322 0.69 HSD11B1 (0.32) ALDH1A1SMN1; SMN2GAA
SCHEMBL16221528 0.68 ALDH1A1 (0.48) ALDH1A1CYP2A13HPGDSMN1; SMN2ACHE
SCHEMBL18922372 0.68 SMN1; SMN2 (0.32) ALDH1A1CYP2A13HPGDSMN1; SMN2GAA
SCHEMBL16840093 0.67 CYP2A13 (0.59) ALDH1A1CYP2A13HPGDSMN1; SMN2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250070-A1 DIHYDROOXAZOLE AND THIOUREA DERIVATIVES MODULATING THE NLRP3 INFLAMMASOME PATHWAY AC IMMUNE SA (CH) 2023-08-10 US disclosed
EP-0980374-B1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PFIZER HOLDING FRANCE (FR) 2003-02-12 EP disclosed
US-6239130-B1 ASTHMA, ATOPIC DERMATITIS, RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISORDERS, PULMONARY HYPERTENSION, LIVER INJURY, BONE LOSS, SEPTIC SHOCK, OR MULTIPLE SCLEROSIS, WARNER-LAMBERT COMPANY 2001-05-29 US disclosed
EP-0980374-A1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PARKE-DAVIS (FR) 2000-02-23 EP disclosed
WO-1998049169-A1 PHOSPHODIESTERASE 4-INHIBITING DIAZEPINOINDOLONES PARKE-DAVIS (FR) 1998-11-05 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-20230250070-A1 DIHYDROOXAZOLE AND THIOUREA DERIVATIVES MODULATING THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NOD1, NLRP1 ALDH1A1 570/4885CYP2A13 2598/4885HPGD 1402/4885

“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.