SCHEMBL516983

SCHEMBL516983

CC(C)(C)c1ccc(NC(=O)c2ccc(C3OCC4(CO3)COC(c3ccc(C(=O)Nc5ccc(C(C)(C)C)cc5)cc3)OC4)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
TRPV1 Q8NER1 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1H4 Q96RI1 3/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 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
SCHEMBL517354 0.84 MAOA (0.56) HDAC3HDAC8HDAC6NPC1RAB9A
SCHEMBL555886 0.83 CYP2C9 (0.53) HDAC3HDAC8HDAC6MAPTLMNA
SCHEMBL7303163 0.78 HDAC3 (0.86) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL1687867 0.73 NPC1 (0.79) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL7296645 0.73 HDAC3 (0.75) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL23352874 0.73 HDAC3 (0.75) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL7291713 0.73 NPC1 (0.79) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL7293270 0.73 HDAC3 (0.75) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL4131602 0.73 HDAC3 (0.75) HDAC3HDAC11HDAC8HDAC6MAPT
SCHEMBL7301362 0.73 HDAC3 (0.75) HDAC3HDAC11HDAC8HDAC6MAPT

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
EP-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed
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
US-8592071-B2 Laminated porous film and separator for battery MITSUBISHI PLASTICS, INC. (JP) 2013-11-26 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
US-20120028006-A1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2392458-A2 POLYPROPYLENE RESIN MOLDED ARTICLE New Japan Chemical Co., Ltd. (JP) 2011-12-07 EP disclosed
US-20110212358-A1 LAMINATED POROUS FILM AND SEPARATOR FOR BATTERY MITSUBISHI PLASTICS, INC. (JP) 2011-09-01 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 HDAC3 1772/4885HDAC11 590/4885HDAC8 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.