SCHEMBL20893390

SCHEMBL20893390

CC(C)(C)OC(=O)N1CCCC1CCl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ PDE8B O95263 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL3898258 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
Methylene Chloride SCHEMBL28081516 0.88 POLB (0.53) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL28054665 0.87 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL6899788 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL1467517 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL3141725 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL135177 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL47049 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL3576321 0.85 HSD17B10 (0.49) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1
SCHEMBL133363 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-05-09 — — US disclosed
EP-3470415-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D]PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2019-04-17 — — EP disclosed
CN-109641908-A Five-ring heterocycles simultaneously [3,4-d] pyridazinone compound, preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2019-04-16 — — CN disclosed
CN-107417687-A Five-ring heterocycles simultaneously [3,4 d] pyridazinone compound, its preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2017-12-01 — — CN 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-20190135818-A1 5-MEMBERED HETEROCYCLE FUSED WITH [3,4-D] PYRIDAZINONE, AND MANUFACTURING METHOD, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF FGFR1, FGFR3, FGFR4 HSD17B10 289/4885SMN1; SMN2 2313/4885ALDH1A1 697/4885

“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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