SCHEMBL6086897

SCHEMBL6086897

CCN(CCC(C)C)C(=O)Cc1c(C(=O)C(C)(CC)CC)sc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
CD274 Q9NZQ7 1/20 0.41
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 4/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KMT2A Q03164 4/20 0.33
NOD2 Q9HC29 1/20 0.33
MEN1 O00255 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31

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
SCHEMBL4181611 0.92 KDM4E (0.43) KDM4ECD274ALDH1A1MAPTLMNA
SCHEMBL4477839 0.86 KDM4E (0.48) KDM4ECD274ALDH1A1MAPTLMNA
SCHEMBL4181658 0.79 CD274 (0.41) KDM4ECD274ALDH1A1MAPTLMNA
SCHEMBL4198387 0.79 CYP1A2 (0.45) KDM4ECD274ALDH1A1MAPTLMNA
SCHEMBL4192859 0.79 CD274 (0.44) KDM4ECD274ALDH1A1MAPTLMNA
SCHEMBL4189697 0.78 KDM4E (0.35) KDM4ECD274TDP1
SCHEMBL4191664 0.77 ICAM1 (0.39) KDM4EALDH1A1MAPTNPC1HPGD
SCHEMBL4193688 0.76 CD274 (0.42) CD274MAPTTDP1
SCHEMBL4193443 0.74 CYP1A2 (0.42) KDM4ECD274ALDH1A1MAPTLMNA
SCHEMBL4189808 0.72 KDM4E (0.41) KDM4ECD274ALDH1A1MAPTHPGD

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-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 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-20060276504-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 KDM4E 1362/4885CD274 4569/4885ALDH1A1 938/4885

“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.