SCHEMBL4580656

SCHEMBL4580656

CCCN(CCC(C)(C)C)C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
TSPO P30536 5/20 0.35
CNR2 P34972 3/20 0.33
LMNA P02545 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE5A O76074 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL4104812 0.94 TSPO (0.39) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL3988525 0.94 KDM4E (0.40) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4102580 0.91 KDM4E (0.38) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL3985323 0.89 KDM4E (0.39) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4119828 0.88 L3MBTL1 (0.32) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL3988517 0.86 ALDH1A1 (0.36) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL3985510 0.85 TSPO (0.40) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4114936 0.84 PDE5A (0.38) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4103872 0.82 KDM4E (0.37) KDM4EALDH1A1MAPK1HTTHSD17B10
SCHEMBL4102208 0.82 HSD17B10 (0.44) KDM4EALDH1A1MAPK1HTTHSD17B10

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-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-04-24 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-20080097108-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNH2, KCNN1, KCNH3 KDM4E 1326/4885ALDH1A1 979/4885MAPK1 512/4885

“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.