SCHEMBL4315489

SCHEMBL4315489

CCN(C(=O)Cn1c(=O)c(C2CCCC2)cc2ccc(OC)cc21)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SRC P12931 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
POLB P06746 1/20 0.35
LYN P07948 1/20 0.35
BTK Q06187 1/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GCK P35557 1/20 0.34

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
SCHEMBL4307618 0.83 MAPT (0.41) ALDH1A1KDM4EUSP2HPGDL3MBTL1
SCHEMBL4307939 0.80 MAPT (0.41) MAPTLMNASRCPTGDR2MTNR1A
SCHEMBL4323715 0.79 TSHR (0.40) ALDH1A1KDM4EUSP2HPGDL3MBTL1
SCHEMBL4315238 0.79 TSHR (0.40) ALDH1A1KDM4EUSP2HPGDL3MBTL1
SCHEMBL4321794 0.79 PTGDR2 (0.41) MAPTLMNASRCPTGDR2MTNR1A
SCHEMBL4312789 0.78 TP53 (0.40) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL4310845 0.78 MAPT (0.39) MAPTSRCPTGDR2TSPO
SCHEMBL4314549 0.78 MAPT (0.39) MAPTSRCPTGDR2MTNR1AMTNR1B
SCHEMBL4310915 0.78 EDNRB (0.41) MAPTPTGDR2TSPO
SCHEMBL4311196 0.78 PTGDR2 (0.39) MAPTSRCPTGDR2MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP claimed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 ALDH1A1 1707/4885KDM4E 1800/4885USP2 3523/4885

“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.