SCHEMBL3156993

SCHEMBL3156993

C#CC(=O)c1cccc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.57
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
KCNH2 Q12809 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ENPP3 O14638 1/20 0.44
ALPL P05186 1/20 0.44
XIAP P98170 1/20 0.44

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
SCHEMBL31599171 0.85 L3MBTL1 (0.46) PARP1HDAC8HDAC6HPGDTDP1
SCHEMBL27582425 0.82 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL6932732 0.80 PARP1 (0.57) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL851367 0.77 CNR2 (0.51) HDAC8SMN1; SMN2TDP1POLB
SCHEMBL186545 0.76 PARP1 (0.68) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL29503529 0.76 PARP1 (0.68) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL3753879 0.76 PARP1 (0.68) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL11047948 0.76 HDAC8 (0.58) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL11547505 0.76 PARP1 (0.57) PARP1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL30725451 0.76 PARP1 (0.57) PARP1SMN1; SMN2MEN1KMT2AHPGD

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-8455590-B2 Modified triaroylbenzene-skeleton polymer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-04 US disclosed
US-8455590-B2 Modified triaroylbenzene-skeleton polymer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-06-04 US disclosed
US-20110319551-A1 MODIFIED TRIAROYLBENZENE-SKELETON POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-29 US disclosed
US-20110319551-A1 MODIFIED TRIAROYLBENZENE-SKELETON POLYMER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-12-29 US disclosed
EP-1753719-B1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2010-03-03 EP disclosed
US-20070172421-A1 Substituted pyrrolidine-2-ones NOVARTIS AG (CH) 2007-07-26 US disclosed
EP-1753719-A1 SUBSTITUTED PYRROLIDINE-2-ONES Novartis AG (CH) 2007-02-21 EP disclosed
WO-2005118535-A1 SUBSTITUTED PYRROLIDINE-2-ONES NOVARTIS AG (CH) 2005-12-15 WO 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-20110319551-A1 MODIFIED TRIAROYLBENZENE-SKELETON POLYMER F12, FLNB, F3 PARP1 2258/4885HDAC8 3954/4885HDAC6 2257/4885
US-20070172421-A1 Substituted pyrrolidine-2-ones PRLHR, EPOR, FLT1 PARP1 152/4885HDAC8 4812/4885HDAC6 2679/4885

“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.