SCHEMBL9969507

SCHEMBL9969507

CC(=O)Nc1ccc(CCC(C)(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 2/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.51
NR1H4 Q96RI1 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
NPC1 O15118 1/20 0.50
EPHX2 P34913 1/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50

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
SCHEMBL13152704 0.90 HPGD (0.55) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL5139062 0.88 AOC3 (0.51) AOC3SMN1; SMN2HTTL3MBTL1TSHR
Hydrochloric Acid SCHEMBL11136619 0.85 AOC3 (0.56) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL29622963 0.85 AOC3 (0.67) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL29622962 0.85 AOC3 (0.67) AOC3SMN1; SMN2HTTL3MBTL1TSHR
SCHEMBL2611230 0.84 L3MBTL1 (0.66) SMN1; SMN2HTTL3MBTL1ALDH1A1HPGD
SCHEMBL13230527 0.83 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1ALDH1A1NR1H4HPGD
SCHEMBL10141373 0.83 RAB9A (0.59) SMN1; SMN2HTTALDH1A1KDM4EHPGD
SCHEMBL11989506 0.81 SMN1; SMN2 (0.55) SMN1; SMN2HTTL3MBTL1TSHRALDH1A1
SCHEMBL11132568 0.81 AOC3 (0.46) AOC3SMN1; SMN2HTTL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (4 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 AOC3 1208/4885SMN1; SMN2 2993/4885HTT 2861/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 AOC3 1208/4885SMN1; SMN2 2993/4885HTT 2861/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC AOC3 1597/4885SMN1; SMN2 3139/4885HTT 1036/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 AOC3 1208/4885SMN1; SMN2 2993/4885HTT 2861/4885

“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.