SCHEMBL12012184

SCHEMBL12012184

C=C(C)OC(=O)NCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PAOX Q6QHF9 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL22281707 0.81 TDP1 (0.42) HSD17B10TDP1ALDH1A1ACHEEPHX1
SCHEMBL12363095 0.81 HSD17B10 (0.42) HSD17B10TDP1PAOXALDH1A1ACHE
SCHEMBL12295177 0.80 TDP1 (0.38) HSD17B10TDP1MAOB
SCHEMBL12093782 0.78 ACHE (0.57) ACHEEPHX1
SCHEMBL13484350 0.78 ECE1 (0.39) HSD17B10TDP1TSHR
SCHEMBL766364 0.77 ACHE (0.36) HSD17B10PAOXALDH1A1CYP2C9HPGD
SCHEMBL22281700 0.76 DNM1 (0.40) HSD17B10TDP1PAOXALDH1A1CYP1A2
SCHEMBL16682368 0.76 TDP1 (0.38) HSD17B10TDP1ALDH1A1MEN1KMT2A
SCHEMBL824789 0.76 — —
SCHEMBL7388423 0.75 — —

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-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 — — US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 HSD17B10 1112/4885TDP1 2257/4885PAOX 2106/4885

“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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