SCHEMBL8920814

SCHEMBL8920814

CCN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.75
TSHR P16473 3/20 0.75
MEN1 O00255 2/20 0.75
ALDH1A1 P00352 3/20 0.71
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
POLB P06746 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 1/20 0.63
CYP2C19 P33261 1/20 0.62
ALOX15 P16050 1/20 0.61
MAPK1 P28482 1/20 0.61
ADRB2 P07550 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
TP53 P04637 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
SCHEMBL5080239 0.89 KMT2A (0.78) KMT2ATSHRMEN1ALDH1A1CYP1A2
SCHEMBL8916029 0.88 ALDH1A1 (0.73) KMT2ATSHRMEN1ALDH1A1CYP1A2
SCHEMBL2793889 0.88 KMT2A (0.77) KMT2ATSHRMEN1ALDH1A1CYP1A2
SCHEMBL14456748 0.85 KMT2A (0.73) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL10947749 0.85 KMT2A (0.76) KMT2ATSHRMEN1ALDH1A1CYP1A2
SCHEMBL8233499 0.84 ALDH1A1 (0.68) KMT2ATSHRMEN1ALDH1A1CYP1A2
SCHEMBL21569623 0.84 ALDH1A1 (0.68) KMT2ATSHRMEN1ALDH1A1CYP1A2
SCHEMBL2793856 0.84 KMT2A (0.71) KMT2ATSHRMEN1ALDH1A1CYP1A2
SCHEMBL8228179 0.83 ADRB2 (0.77) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL4273358 0.82 CYP2C19 (0.74) KMT2ATSHRMEN1ALDH1A1CYP1A2

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 11 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
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO 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 KMT2A 984/4885TSHR 1585/4885MEN1 1020/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885TSHR 2239/4885MEN1 1851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885TSHR 743/4885MEN1 3512/4885

“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.