SCHEMBL13825640

SCHEMBL13825640

COC(=O)CC(Cc1ccccc1)NC(=O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
MMEL1 Q495T6 1/20 0.50
HPGD P15428 1/20 0.49
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL13825641 0.94 TRPV1 (0.51) MMEITGB3ITGA2BMMEL1HPGD
SCHEMBL13825652 0.94 TRPV1 (0.51) MMEITGB3ITGA2BMMEL1HPGD
SCHEMBL13825720 0.88 ALDH1A1 (0.48) MMEITGB3ITGA2BMMEL1HDAC2
SCHEMBL13744623 0.87 MME (0.54) MMEMMEL1HPGD
SCHEMBL13825642 0.86 ALDH1A1 (0.52) MMEHPGDKDM4ELMNA
SCHEMBL7804877 0.83 SMN1; SMN2 (0.57) HDAC2HDAC8HDAC6RECQLKDM4E
SCHEMBL14611003 0.82 CTRB1 (0.53) LMNA
SCHEMBL14392786 0.82 CTRB1 (0.53) LMNA
SCHEMBL12009636 0.82 HPGD (0.68) MMEHPGDHDAC2HDAC8HDAC6
SCHEMBL4888092 0.82 KDM4E (0.50) ITGB3ITGA2BHPGDHDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 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-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH MME 634/4885ITGB3 4262/4885ITGA2B 3589/4885

“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.