SCHEMBL5605553

SCHEMBL5605553

O=C(O)CCCC(=O)NCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.57
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6999654 0.90 GLA (0.61) GLAHSD17B10ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9795225 0.86 HSD17B10 (0.56) HSD17B10ALDH1A1KMT2AMEN1KDM4E
SCHEMBL16353821 0.85 SMN1; SMN2 (0.59) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1726735 0.84 TSHR (0.57) HSD17B10ALDH1A1KMT2AMEN1KDM4E
SCHEMBL8190979 0.84 HSD17B10 (0.55) HSD17B10ALDH1A1KMT2AMEN1KDM4E
SCHEMBL18381272 0.84 CYP1A2 (0.62) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL2811459 0.83 TSHR (0.56) HSD17B10ALDH1A1KMT2AMEN1KDM4E
SCHEMBL24686241 0.82 HSD17B10 (0.59) HSD17B10ALDH1A1KMT2AMEN1KDM4E
SCHEMBL26393724 0.82 FAAH (0.55) HSD17B10ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9633498 0.82 FAAH (0.55) HSD17B10ALDH1A1KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 US disclosed
US-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU "PHARMENTERPRISES" (RU) 2017-06-29 US disclosed
EP-3118211-A1 AMIDE COMPOUNDS AND METHODS FOR THE PRODUCTION AND USE THEREOF Obschestvo S Ogranichennoi Otvetstennostiyu "Pharmenterprises" (RU) 2017-01-18 EP disclosed
CN-100543032-C Streptogramin derivatives, preparation method and compositions containing them AVETIS PHARMA S A (FR) 2009-09-23 CN disclosed
CN-1961878-A Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA SA (FR) 2007-05-16 CN disclosed
US-7166594-B2 Antibacterial activity AVENTIS PHARMA S.A. (FR) 2007-01-23 US disclosed
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. 2003-08-07 US disclosed
US-6569854-B1 Virginamycins AVENTIS PHARMA S.A. (FR) 2003-05-27 US disclosed
CN-1358194-A Streptogramin derivatives, preparation method and compositions containing them AVETIS PHARMA S A (FR) 2002-07-10 CN 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-20170183318-A1 AMIDE COMPOUNDS, METHODS FOR PREPARATION, AND USE THEREOF AS AGENTS FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY RNA- AND/OR DNA-CONTAINING VIRUSES, AND CONCOMITANT DISEASES ACE, ACE2, MCTS1 GLA 950/4885HSD17B10 1991/4885ALDH1A1 1193/4885
US-20030149004-A1 Streptogramin derivatives, their preparation and compositions containing them MRPL21, ABHD5, APEH GLA 151/4885HSD17B10 548/4885ALDH1A1 4296/4885

“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.