SCHEMBL2111464

SCHEMBL2111464

Clc1ccc(OCc2ccccc2)c(-c2cnc(Cl)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 18/20 0.55
CYP2C9 P11712 4/20 0.53
CYP3A4 P08684 1/20 0.52
TBXA2R P21731 4/20 0.51
C5AR1 P21730 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49

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
SCHEMBL2112850 0.87 PTGER1 (0.55) PTGER1CYP2C9CYP3A4TBXA2RC5AR1
SCHEMBL2112819 0.81 PTGER1 (0.47) PTGER1CYP2C9CYP3A4TBXA2RC5AR1
SCHEMBL2113878 0.80 PTGER1 (0.48) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL8614892 0.79 FEN1 (0.43) PTGER1
SCHEMBL4286820 0.78 PTGER1 (0.50) PTGER1CYP2C9CYP3A4TBXA2RC5AR1
SCHEMBL27650129 0.77 PTGER1 (0.52) PTGER1CYP2C9CYP3A4TBXA2RC5AR1
SCHEMBL8615551 0.76 ERN1 (0.49) PTGER1
SCHEMBL4884388 0.76 PTGER1 (0.63) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL1988682 0.76 PTGER1 (0.60) PTGER1CYP2C9TBXA2RC5AR1PTGDR2
SCHEMBL5096000 0.75 PTGER1 (0.64) PTGER1CYP2C9CYP3A4TBXA2R

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 6 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-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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 (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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGER1 351/4885CYP2C9 160/4885CYP3A4 93/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGER1 351/4885CYP2C9 160/4885CYP3A4 93/4885

“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.