SCHEMBL2114367

SCHEMBL2114367

CC12COC(COc3ccc(C(F)(F)F)cc3)(OC1)OC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
DRD2 P14416 4/20 0.39
LTA4H P09960 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PPARD Q03181 2/20 0.37
AOC3 Q16853 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL11742464 0.79 MAOB (0.40) MAOBDRD2LTA4HPPARD
SCHEMBL12083017 0.70 PPARD (0.47) MAOBDRD2LTA4HALDH1A1PPARD
SCHEMBL6215903 0.68 KMT2A (0.50) ALDH1A1
SCHEMBL1245425 0.68 SMN1; SMN2 (0.45) MAOBALDH1A1AOC3
SCHEMBL10097103 0.68 DRD2 (0.40) MAOBDRD2LTA4HALDH1A1PPARD
SCHEMBL10096892 0.68 DRD2 (0.40) MAOBDRD2LTA4HALDH1A1PPARD
SCHEMBL8237725 0.67 NQO1 (0.64) MAOBLTA4HALDH1A1AOC3
SCHEMBL30947369 0.67 KCNH2 (0.48) MAOBALDH1A1AOC3
SCHEMBL10097037 0.67 DRD2 (0.39) MAOBDRD2LTA4HALDH1A1PPARD
SCHEMBL6441253 0.65 MAOB (0.41) MAOBDRD2LTA4HALDH1A1

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
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1799658-A2 MODULATORS OF CRTH2 REZEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES AstraZeneca AB (SE) 2007-06-27 EP disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
WO-2006037982-A2 MODULATORS OF CRTH2 RECEPTOR ACTIVITY FOR THE TREATMENT OF PROSTAGLANDIN D2 MEDIATED DISEASES ASTRAZENECA AB (SE) 2006-04-13 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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 MAOB 1790/4885DRD2 661/4885LTA4H 21/4885
US-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MAOB 311/4885DRD2 1530/4885LTA4H 470/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 MAOB 311/4885DRD2 1530/4885LTA4H 470/4885

“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.