SCHEMBL4153701

SCHEMBL4153701

CCN(C(=O)CCc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.59
LTB4R2 Q9NPC1 2/20 0.58
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
TP53 P04637 1/20 0.51
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP19A1 P11511 1/20 0.45
MEN1 O00255 1/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL4161430 0.91 MLYCD (0.68) MLYCDALDH1A1SMN1; SMN2HPGDGLA
SCHEMBL4152623 0.84 ALDH1A1 (0.56) LTB4R2ALDH1A1GLATSHRTP53
SCHEMBL4558654 0.81 MLYCD (0.58) MLYCDLTB4R2ALDH1A1SMN1; SMN2HPGD
SCHEMBL4558968 0.80 ALOX5 (0.62) MLYCDLTB4R2ALDH1A1SMN1; SMN2HPGD
SCHEMBL5595921 0.79 TP53 (0.79) MLYCDLTB4R2ALDH1A1SMN1; SMN2GLA
SCHEMBL28021112 0.78 CNR2 (0.57) MLYCDLTB4R2ALDH1A1GLATSHR
SCHEMBL27458905 0.77 APP (0.50) ALDH1A1HPGDTSHRTP53KMT2A
SCHEMBL21479997 0.76 MLYCD (0.56) MLYCDLTB4R2ALDH1A1SMN1; SMN2HPGD
SCHEMBL17333743 0.76 TP53 (0.64) LTB4R2ALDH1A1SMN1; SMN2GLATSHR
SCHEMBL17361052 0.75 LTB4R2 (0.47) LTB4R2ALDH1A1SMN1; SMN2GLATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP claimed
CN-101180267-B Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTV 2015-06-17 CN disclosed
US-8546612-B2 Phenyl-N-acyl derivatives of amines and amino acids, a process for the preparation thereof, a pharmaceutical composition and use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-10-01 US disclosed
US-20130109880-A1 PHENYL-N-ACYL DERIVATIVES OF AMINES AND AMINO ACIDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION AND USE THEREOF OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2013-05-02 US disclosed
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
EP-1876169-A1 PHENYL-CONTAINING N-ACYL AMINE AND AMINOACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, A PHARMACEUTICAL COMPOSITION AND THE USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2008-01-09 EP 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 (2 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-20130109880-A1 PHENYL-N-ACYL DERIVATIVES OF AMINES AND AMINO ACIDS, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION AND USE THEREOF MAOA, PAH, MAOB MLYCD 377/4885LTB4R2 966/4885ALDH1A1 859/4885
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 MLYCD 331/4885LTB4R2 870/4885ALDH1A1 781/4885

“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.