SCHEMBL3249613

SCHEMBL3249613

CC(O)N1CCCC1CN

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DPP4 P27487 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.31
XPNPEP1 Q9NQW7 1/20 0.31
NCF1 P14598 1/20 0.31
TP53 P04637 1/20 0.30
PREP P48147 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
SCHEMBL4373968 0.83 HTT (0.39) HTTKDM4EDPP4DPP7DPP8
SCHEMBL2444679 0.83 HTT (0.39) HTTKDM4EDPP4DPP7DPP8
SCHEMBL12308321 0.83 HTT (0.39) HTTKDM4EDPP4DPP7DPP8
Hydrochloric Acid SCHEMBL19067205 0.81 HTT (0.38) HTTKDM4EDPP4DPP7DPP8
Hydrochloric Acid SCHEMBL20608334 0.81 HTT (0.38) HTTKDM4EDPP4DPP7DPP8
SCHEMBL1420691 0.79 HTT (0.36) HTTNCF1
SCHEMBL25134816 0.79 HDAC8 (0.36)
SCHEMBL4373179 0.77 HTT (0.38) HTTKDM4ENCF1
SCHEMBL5047331 0.76 CYP1A2 (0.35) POLB
SCHEMBL4366182 0.75 CYP1A2 (0.37) HTTNCF1TP53

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-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US claimed
EP-1454617-B1 HAIR BLEACH AND DYE COMPOSITIONS KAO CORP (JP) 2010-05-05 EP disclosed
US-7211116-B2 Hair dye composition KAO CORPORATION (JP) 2007-05-01 US disclosed
US-20050102770-A1 Hair dye composition KAO CORPORATION (JP) 2005-05-19 US disclosed
EP-1454617-A1 HAIR DYE COMPOSITION Kao Corporation (JP) 2004-09-08 EP 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-20050102770-A1 Hair dye composition DOHH, HADH, FAR1 HTT 1127/4885KDM4E 3876/4885DPP4 4229/4885

“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.