SCHEMBL3317460

SCHEMBL3317460

C=CCNCCCNC=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.46
ADH1A P07327 3/20 0.46
ADH7 P40394 3/20 0.46
ADH1C P00326 2/20 0.46
EPHX1 P07099 1/20 0.44
ADH4 P08319 1/20 0.44
PAOX Q6QHF9 3/20 0.39
SMOX Q9NWM0 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 3/20 0.34

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
SCHEMBL3312972 0.85
SCHEMBL3023756 0.84 PAOX (0.50) PAOXSMOXKDM4EALDH1A1NPC1
SCHEMBL1948513 0.84 KDM1A (0.43) PAOXSMOXKDM4EALDH1A1NPC1
SCHEMBL17291809 0.82 PAOX (0.48) PAOXSMOXKDM4EALDH1A1NPC1
SCHEMBL5611725 0.82 PAOX (0.48) PAOXSMOXKDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL3024738 0.82 SMOX (0.52) PAOXSMOXKDM4EALDH1A1NPC1
SCHEMBL17291817 0.82 PAOX (0.48) PAOXSMOXKDM4EALDH1A1NPC1
SCHEMBL17291829 0.82 PAOX (0.48) PAOXSMOXKDM4EALDH1A1NPC1
SCHEMBL17291826 0.82 PAOX (0.48) PAOXSMOXKDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL3009329 0.82 KDM1A (0.46) PAOXSMOXKDM4EALDH1A1NPC1

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-20100104659-A1 BENZOPYRANOPYRAZOLES 4SC AG (DE) 2010-04-29 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-20100104659-A1 BENZOPYRANOPYRAZOLES BAX, BCL2, BAD ADH1B 1255/4885ADH1A 1695/4885ADH7 1425/4885

“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.