SCHEMBL4425984

SCHEMBL4425984

CCOC(=O)CCc1cccc(CCC(=O)OCC)c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 4/20 0.64
▸ CYP4A11 Q02928 4/20 0.64
▸ TDP1 Q9NUW8 1/20 0.56
▸ PPARG P37231 1/20 0.51
▸ PPARA Q07869 1/20 0.51
▸ CYP4Z1 Q86W10 1/20 0.50
▸ APP P05067 2/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SYK P43405 2/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ P2RY12 Q9H244 1/20 0.48
▸ ABCB1 P08183 1/20 0.48

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
SCHEMBL13104077 0.95 CYP4F2 (0.58) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL3175580 0.93 CYP4F2 (0.57) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL10725552 0.93 CYP4F2 (0.61) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL22070553 0.93 CYP4F2 (0.76) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL2174850 0.92 CYP4F2 (0.55) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL10504954 0.92 CYP4F2 (0.55) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL879289 0.91 CYP4F2 (0.58) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL3175607 0.91 CYP4F2 (0.65) CYP4F2CYP4A11TDP1PPARGPPARA
Hydrochloric Acid SCHEMBL6982286 0.91 CYP4F2 (0.54) CYP4F2CYP4A11TDP1PPARGPPARA
SCHEMBL2745464 0.90 CYP4F2 (0.57) CYP4F2CYP4A11TDP1PPARGPPARA

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
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 — — EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 — — US disclosed
US-7557126-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-07-07 — — US disclosed
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-01 — — US disclosed
US-7250414-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-07-31 — — US disclosed
EP-1723142-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-11-22 — — EP disclosed
WO-2005087763-A9 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2005-10-27 — — WO disclosed
WO-2005087763-A1 DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-09-22 — — WO disclosed
US-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2005-09-15 — — 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-20050203167-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 CYP4F2 1689/4885CYP4A11 935/4885TDP1 3041/4885
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 CYP4F2 1689/4885CYP4A11 935/4885TDP1 3041/4885

“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.

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