SCHEMBL8920546

SCHEMBL8920546

CC(=O)N(c1ccc(C)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
RAB9A P51151 7/20 0.55
HTT P42858 2/20 0.50
TRPM8 Q7Z2W7 3/20 0.48
NPC1 O15118 6/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
PAX8 Q06710 2/20 0.47
PKM P14618 2/20 0.47
S1PR1 P21453 2/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
S1PR4 O95977 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL1690729 0.86 RAB9A (0.50) LMNARAB9AHTTTRPM8NPC1
SCHEMBL7527549 0.85 TRPM8 (0.47) LMNARAB9ATRPM8NPC1KDM4E
SCHEMBL11807077 0.85 LMNA (0.50) LMNARAB9AHTTTRPM8NPC1
SCHEMBL6601536 0.84 KDM4E (0.64) LMNARAB9AHTTTRPM8NPC1
SCHEMBL3908885 0.81 LMNA (0.50) LMNARAB9AHTTTRPM8NPC1
SCHEMBL7873766 0.81 CCNK (0.47) LMNARAB9AHTTTRPM8NPC1
SCHEMBL7876922 0.80 LMNA (0.46) LMNARAB9AHTTTRPM8NPC1
SCHEMBL1948888 0.80 LMNA (0.54) LMNARAB9AHTTTRPM8NPC1
SCHEMBL9256458 0.79 LMNA (0.55) LMNARAB9AHTTTRPM8NPC1
SCHEMBL19418280 0.77 CCNK (0.48) LMNARAB9AHTTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 LMNA 2721/4885RAB9A 2782/4885HTT 3655/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 LMNA 4340/4885RAB9A 2323/4885HTT 4769/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 LMNA 1091/4885RAB9A 3123/4885HTT 3668/4885

“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.