SCHEMBL12363095

SCHEMBL12363095

C=C(C)OC(=O)NCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ACHE P22303 8/20 0.41
▸ EPHX1 P07099 2/20 0.41
▸ BCHE P06276 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ PAOX Q6QHF9 1/20 0.36

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
SCHEMBL12093782 0.88 ACHE (0.57) ACHEEPHX1BCHE
SCHEMBL4946707 0.83 ALDH1A1 (0.43) ACHEEPHX1BCHECHRNB2CHRNB4
SCHEMBL22281707 0.83 TDP1 (0.42) HSD17B10TDP1ACHEEPHX1CHRNB2
SCHEMBL824789 0.82 — —
SCHEMBL10885575 0.82 ACHE (0.43) ACHEEPHX1BCHECHRNB2CHRNB4
SCHEMBL12012184 0.81 HSD17B10 (0.41) HSD17B10TDP1ACHEEPHX1MEN1
SCHEMBL13484350 0.79 ECE1 (0.39) HSD17B10TDP1
SCHEMBL12295177 0.78 TDP1 (0.38) HSD17B10TDP1
SCHEMBL22281700 0.78 DNM1 (0.40) HSD17B10TDP1ALDH1A1PAOX
SCHEMBL16682368 0.78 TDP1 (0.38) HSD17B10TDP1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 — — US disclosed
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 — — US disclosed
US-20080261961-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 — — 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 (3 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-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES BRAF, RET, KIT HSD17B10 4739/4885TDP1 2339/4885ACHE 2960/4885
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 HSD17B10 3213/4885TDP1 1597/4885ACHE 4856/4885
US-20080261961-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, BRAF, RET HSD17B10 4706/4885TDP1 1577/4885ACHE 3057/4885

“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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