SCHEMBL8916005

SCHEMBL8916005

Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
LMNA P02545 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NR1H4 Q96RI1 1/20 0.65
HSD17B10 Q99714 3/20 0.64
MAPT P10636 1/20 0.64
ACACB O00763 1/20 0.63
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
POLB P06746 1/20 0.62
RAB9A P51151 1/20 0.62
ALDH1A1 P00352 2/20 0.61
FABP1 P07148 1/20 0.61
FABP6 P51161 1/20 0.61
KDM4E B2RXH2 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL14496781 0.83 MEN1 (0.56) HTTKMT2AMEN1POLBALDH1A1
SCHEMBL30064786 0.83 LMNA (0.75) HTTLMNASMN1; SMN2NR1H4HSD17B10
SCHEMBL16599095 0.80 RGS12 (0.78) HTTLMNASMN1; SMN2NR1H4HSD17B10
SCHEMBL8925693 0.78 ALDH1A1 (0.75) HTTLMNASMN1; SMN2MAPTKMT2A
SCHEMBL8916560 0.78 MEN1 (0.72) LMNASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1064531 0.77 ALDH1A1 (0.71) HTTLMNAMAPTKMT2AMEN1
SCHEMBL27663681 0.77 ALDH1A1 (0.70) HTTLMNAMAPTKMT2AMEN1
SCHEMBL13546093 0.76 FABP1 (1.00) HTTLMNASMN1; SMN2NR1H4KMT2A
SCHEMBL12058759 0.76 KMT2A (0.75) HTTLMNASMN1; SMN2MAPTKMT2A
SCHEMBL2853078 0.76 KMT2A (0.70) HTTLMNANR1H4MAPTKMT2A

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 10 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-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-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-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-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
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 HTT 3655/4885LMNA 2721/4885SMN1; SMN2 4313/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HTT 4769/4885LMNA 4340/4885SMN1; SMN2 3224/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HTT 3668/4885LMNA 1091/4885SMN1; SMN2 3077/4885

“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.