SCHEMBL3562853

SCHEMBL3562853

CCCCCCOc1c2c(c(OCCC)c3ccccc13)C(=O)N(c1ccc(C(CC)C(=O)O)cc1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.41
CDC25B P30305 2/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
PPARA Q07869 4/20 0.37
PPARG P37231 3/20 0.37
PPARD Q03181 3/20 0.37

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
SCHEMBL3564292 0.98 PTGER4 (0.52) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3561182 0.95 PTGER4 (0.55) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3558593 0.94 PTGER4 (0.54) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3570585 0.92 PTGER4 (0.47) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL1590101 0.90 PTGER4 (0.50) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL1590412 0.89 PTGER4 (0.52) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3563515 0.89 PTGER4 (0.49) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL1590623 0.88 PTGER4 (0.48) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL6935813 0.87 PTGER4 (0.58) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3562793 0.86 PTGER4 (0.66) PTGER4CYP1A2CYP2D6HTR1AADRA1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732622-B2 Naphthalene derivatives GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid CONGREVE MILES STUART 2008-09-25 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 (1 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-20080234358-A1 E-series of prostaglandin (EP) receptors; [[4-(4,9-dipropoxy-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl) phenyl]acetic acid PTGER3, OPRL1, PTGER1 PTGER4 21/4885CYP1A2 567/4885CYP2D6 610/4885

“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.