SCHEMBL3563601

SCHEMBL3563601

CCC(C(=O)O)c1ccc(N2Cc3c(c(OC(C)C)c4ccccc4c3OC(C)C)C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.70
HTR1A P08908 1/20 0.55
ADRA1A P35348 1/20 0.55
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD1 P21728 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL3561366 0.94 PTGER4 (0.73) PTGER4HTR1AADRA1A
SCHEMBL3564981 0.94 PTGER4 (0.73) PTGER4HTR1AADRA1A
SCHEMBL3565174 0.93 PTGER4 (0.62) PTGER4HTR1AADRA1A
SCHEMBL3566808 0.93 PTGER4 (0.62) PTGER4HTR1AADRA1A
SCHEMBL3564298 0.90 PTGER4 (0.60) PTGER4HTR1AADRA1A
SCHEMBL3564208 0.90 PTGER4 (0.60) PTGER4HTR1AADRA1A
SCHEMBL1590316 0.87 PTGER4 (0.57) PTGER4HTR1AADRA1A
SCHEMBL1590292 0.87 PTGER4 (0.57) PTGER4HTR1AADRA1A
SCHEMBL3569685 0.85 PTGER4 (0.71) PTGER4HTR1AADRA1A
SCHEMBL2296581 0.85 PTGER4 (0.61) PTGER4HTR1AADRA1A

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 21/4885HTR1A 217/4885ADRA1A 98/4885

“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.