SCHEMBL3133486

SCHEMBL3133486

CCOC(=O)CCc1ccc(Oc2ccc(N)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.62
CYP4A11 Q02928 2/20 0.62
CYP4Z1 Q86W10 1/20 0.50
PPIB P23284 1/20 0.49
PPIA P62937 1/20 0.49
PPID Q08752 1/20 0.49
PPIG Q13427 1/20 0.49
FFAR1 O14842 1/20 0.47
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TEAD4 Q15561 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
PARP10 Q53GL7 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL752665 0.92 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1PPIBPPIA
Hydrochloric Acid SCHEMBL6982675 0.91 CYP4F2 (0.70) CYP4F2CYP4A11CYP4Z1PPIBPPIA
SCHEMBL10736550 0.86 CYP4F2 (0.64) CYP4F2CYP4A11CYP4Z1FFAR1LMNA
SCHEMBL2773677 0.86 FFAR1 (0.66) CYP4F2CYP4A11CYP4Z1FFAR1MAPT
SCHEMBL10730919 0.85 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1FFAR1LMNA
SCHEMBL3146690 0.84 CYP4F2 (0.51) CYP4F2CYP4A11CYP4Z1ALDH1A1POLB
SCHEMBL4654742 0.84 CYP4F2 (0.60) CYP4F2CYP4A11CYP4Z1FFAR1LMNA
SCHEMBL11527718 0.84 CYP4F2 (0.60) CYP4F2CYP4A11CYP4Z1FFAR1LMNA
SCHEMBL68902 0.83 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1LMNAMAPT
SCHEMBL1467579 0.83 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1PPIBPPIA

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 7 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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP 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 CYP4F2 546/4885CYP4A11 159/4885CYP4Z1 362/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CYP4F2 2279/4885CYP4A11 1486/4885CYP4Z1 1687/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CYP4F2 435/4885CYP4A11 183/4885CYP4Z1 509/4885

“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.