SCHEMBL4323715

SCHEMBL4323715

CCN(C(=O)Cn1c(=O)c(C2CCCCC2)cc2ccc(OC)cc21)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 3/20 0.39
NPSR1 Q6W5P4 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
ALOX15 P16050 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL4315238 1.00 TSHR (0.40) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4311886 0.89 ALDH1A1 (0.38) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4307877 0.87 ALDH1A1 (0.37) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4321794 0.87 PTGDR2 (0.41) PTGDR2MAPTMTNR1AMTNR1BLMNA
SCHEMBL4305729 0.86 PDE3B (0.40) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4307939 0.85 MAPT (0.41) PTGDR2MAPTMTNR1AMTNR1BLMNA
SCHEMBL4311196 0.85 PTGDR2 (0.39) PTGDR2MAPTMTNR1AMTNR1B
SCHEMBL4308723 0.85 PTGDR2 (0.39) PTGDR2MAPT
SCHEMBL4315006 0.85 EDNRB (0.41) PTGDR2MAPT
SCHEMBL4312789 0.84 TP53 (0.40) ALDH1A1KDM4EHPGDPTGDR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 3563/4885ALDH1A1 1707/4885KDM4E 1800/4885

“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.