SCHEMBL3820883

SCHEMBL3820883

[c]1ccc(N(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SERPINE1 P05121 1/20 0.32
AOC3 Q16853 1/20 0.31
MCOLN3 Q8TDD5 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
SCHEMBL2182590 0.96
SCHEMBL2184233 0.89
SCHEMBL4492651 0.84 HRH4 (0.38) HRH4HRH3KDM4EMEN1ALDH1A1
SCHEMBL694780 0.79 HRH4 (0.38) HRH4HRH3KDM4EMEN1ALDH1A1
SCHEMBL15031168 0.77 HRH3 (0.47) HRH4HRH3KDM4EMEN1ALDH1A1
SCHEMBL14817555 0.77 HRH3 (0.47) HRH4HRH3KDM4EMEN1ALDH1A1
SCHEMBL620016 0.77 KDM4E (0.49) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL24537399 0.76 KDM4E (0.47) KDM4EMEN1ALDH1A1KMT2ANPC1
Hydrochloric Acid SCHEMBL2140316 0.76 KDM4E (0.47) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL17046065 0.76 KDM4E (0.47) KDM4EMEN1ALDH1A1KMT2ANPC1

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-20090306368-A1 POLYNUCLEAR COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-2093227-A1 POLYNUCLEAR COMPLEX Sumitomo Chemical Company, Limited (JP) 2009-08-26 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-20090306368-A1 POLYNUCLEAR COMPLEX AP2M1, HNRNPH3, NDUFC2 HRH4 791/4885HRH3 234/4885KDM4E 4615/4885

“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.