SCHEMBL4580316

SCHEMBL4580316

CCN(C(=O)Cn1c2c(c3ccc(OC)cc31)CCC(C)(C)C2)c1nccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 1/20 0.36
DYRK1A Q13627 4/20 0.35
CYP3A4 P08684 2/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
PDE5A O76074 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL4119828 0.90 L3MBTL1 (0.32) L3MBTL1ALDH1A1KDM4EMAPK1HTT
SCHEMBL4119752 0.88 ALDH1A1 (0.43) L3MBTL1ALDH1A1KDM4EMAPK1HTT
SCHEMBL4110311 0.82 ALDH1A1 (0.46) L3MBTL1ALDH1A1KDM4EMAPK1HTT
SCHEMBL5199093 0.79 TSPO (0.52) L3MBTL1DYRK1ATSPO
SCHEMBL3988525 0.79 KDM4E (0.40) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3985510 0.78 TSPO (0.40) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL3985323 0.78 KDM4E (0.39) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4117732 0.78 AKR1B1 (0.47) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4103872 0.77 KDM4E (0.37) ALDH1A1KDM4EMAPK1HTTHSD17B10
SCHEMBL4106665 0.77 TSPO (0.39) ALDH1A1KDM4EMAPK1HTTHSD17B10

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 L3MBTL1 4754/4885ALDH1A1 979/4885KDM4E 1326/4885

“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.