SCHEMBL557111

SCHEMBL557111

CC(C)(C)c1ccc(NC(=O)c2ccc3cc(C(=O)Nc4ccc(C(C)(C)C)cc4)ccc3c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.71
HDAC3 O15379 2/20 0.71
HDAC8 Q9BY41 2/20 0.71
HDAC11 Q96DB2 1/20 0.71
TRPV1 Q8NER1 6/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
TP53 P04637 2/20 0.68
ENPP1 P22413 1/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
NR1H4 Q96RI1 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 1/20 0.61
KCNK9 Q9NPC2 1/20 0.60

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
SCHEMBL7303163 0.89 HDAC3 (0.86) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL2908907 0.86 HDAC6 (0.74) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL16678174 0.85 HDAC3 (0.73) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL16677863 0.85 HDAC6 (0.73) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL21588673 0.84 HDAC6 (0.67) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL25721410 0.84 HDAC6 (0.67) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL14137372 0.83 MEN1 (0.59) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL23352874 0.83 HDAC3 (0.75) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL7301362 0.83 HDAC3 (0.75) HDAC6HDAC3HDAC8HDAC11TRPV1
SCHEMBL7293270 0.83 HDAC3 (0.75) HDAC6HDAC3HDAC8HDAC11TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023921-B2 Method for inhibiting crystal growth rate of amide compound and method for producing molded article of polyolefin-based resin NEW JAPAN CHEMICAL CO., LTD. (JP) 2015-05-05 US disclosed
EP-2431415-A1 METHOD FOR CONTROLLING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN New Japan Chemical Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120035304-A1 METHOD FOR INHIBITING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-09 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-20120035304-A1 METHOD FOR INHIBITING CRYSTAL GROWTH RATE OF AMIDE COMPOUND AND METHOD FOR PRODUCING MOLDED ARTICLE OF POLYOLEFIN-BASED RESIN MNAT1, RFT1, RTF1 HDAC6 1008/4885HDAC3 1772/4885HDAC8 349/4885

“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.