SCHEMBL18087828

SCHEMBL18087828

NCCN(CCN)CCNc1ccc2ccc(=O)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.59
DRD2 P14416 5/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.44
DRD3 P35462 1/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA9 Q16790 5/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
AKR1B1 P15121 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL3197214 0.85 DRD4 (0.69) DRD4DRD2KDM4EALDH1A1GLA
SCHEMBL22899134 0.76 DRD4 (0.69) DRD4DRD2KDM4EALDH1A1GLA
SCHEMBL18086511 0.76 DRD4 (0.57) DRD4DRD2KDM4EALDH1A1GLA
SCHEMBL9474175 0.74 DRD4 (0.67) DRD4DRD2KDM4EALDH1A1GLA
SCHEMBL798583 0.74 DRD4 (0.61) DRD4DRD2KDM4EALDH1A1GLA
SCHEMBL11118650 0.72 DRD4 (0.58) DRD4DRD2KDM4EALDH1A1GLA
SCHEMBL18087513 0.70 KDM4E (0.55) DRD4KDM4EALDH1A1GLAL3MBTL1
SCHEMBL5567249 0.69 DRD4 (0.58) DRD4DRD2KDM4EALDH1A1GLA
SCHEMBL9080916 0.67 DRD4 (0.53) DRD4KDM4EALDH1A1GLACA12
SCHEMBL22274831 0.67 MAOB (0.57) DRD4DRD2KDM4EALDH1A1GLA

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-9839592-B2 Fluorescent compounds for treating hair NOXELL CORPORATION (US) 2017-12-12 US disclosed
US-20160271039-A1 Fluorescent Compounds for Treating Hair WELLA OPERATIONS US, LLC 2016-09-22 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-20160271039-A1 Fluorescent Compounds for Treating Hair FH, KRT18, SLC26A4 DRD4 1439/4885DRD2 1720/4885KDM4E 3064/4885

“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.