SCHEMBL3280964

SCHEMBL3280964

COC(=O)CCCc1c(C(=O)OC)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.57
SRC P12931 1/20 0.57
HTR6 P50406 2/20 0.56
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR1F P30939 1/20 0.54
HTR7 P34969 1/20 0.54
DRD3 P35462 1/20 0.54
MCL1 Q07820 8/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 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
SCHEMBL5268569 0.91 HTR6 (0.70) EGFRSRCHTR6HTR1ADRD2
SCHEMBL9154720 0.85 KDM4E (0.61) EGFRSRCHTR6ALDH1A1MAPT
SCHEMBL8422454 0.84 MEN1 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL5955783 0.83 HTR6 (0.58) EGFRSRCHTR6HTR1ADRD2
SCHEMBL3276728 0.83 EGFR (0.66) EGFRSRCHTR6HTR1ADRD2
SCHEMBL9499798 0.82 HTR6 (0.76) EGFRSRCHTR6HTR1ADRD2
SCHEMBL7355774 0.81 EGFR (0.60) EGFRSRCHTR6HTR1ADRD2
SCHEMBL7380594 0.80 KDM4E (0.60) EGFRHTR6HTR1ADRD2DRD4
SCHEMBL28156846 0.79 KDM4E (0.60) EGFRSRCHTR6HTR1ADRD2
SCHEMBL9094606 0.78 HTR6 (0.73) EGFRHTR6HTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 EGFR 3404/4885SRC 4061/4885HTR6 2069/4885

“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.