SCHEMBL6465429

SCHEMBL6465429

Cc1cc(C)cc(C(=O)N2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.68
ALDH1A1 P00352 4/20 0.57
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.56
HTT P42858 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PHGDH O43175 1/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.51
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 2/20 0.51

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
SCHEMBL23113264 0.92 HPGD (0.58) HPGDALDH1A1LMNANPSR1HTT
SCHEMBL12846471 0.89 HPGD (0.54) HPGDALDH1A1LMNAHTTKDM4E
SCHEMBL12547814 0.89 HPGD (0.54) HPGDALDH1A1LMNANPSR1HTT
SCHEMBL12546097 0.86 HSP90AA1 (0.53) HPGDALDH1A1LMNAHTTKDM4E
SCHEMBL15108842 0.86 HPGD (0.51) HPGDALDH1A1LMNANPSR1HTT
SCHEMBL15219384 0.85 HIF1A (0.52) HPGDALDH1A1LMNAHTTKDM4E
SCHEMBL19657227 0.85 HPGD (0.50) HPGDALDH1A1LMNAHTTKDM4E
SCHEMBL20888504 0.83 HPGD (0.49) HPGDALDH1A1LMNAHTTKDM4E
SCHEMBL23113214 0.83 KDM4E (0.65) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7491 0.83 HPGD (0.71) HPGDALDH1A1LMNAHTTKDM4E

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-9272248-B2 Gas separation composite membrane, and gas separating module, gas separation apparatus and gas separation method using the same FUJIFILM CORPORATION (JP) 2016-03-01 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20140130669-A1 GAS SEPARATION COMPOSITE MEMBRANE, AND GAS SEPARATING MODULE, GAS SEPARATION APPARATUS AND GAS SEPARATION METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2014-05-15 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-6943194-B1 Synthesis of phenstatin and prodrugs thereof ARIZONA BOARD OF REGENTS, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2005-09-13 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 (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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 HPGD 3092/4885ALDH1A1 2444/4885LMNA 95/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 HPGD 3950/4885ALDH1A1 2289/4885LMNA 4466/4885

“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.