SCHEMBL4037074

SCHEMBL4037074

OBO.OCc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
IDO1 P14902 2/20 0.45
APOBEC3G Q9HC16 1/20 0.43
LMNA P02545 2/20 0.41
ALDH1A1 P00352 4/20 0.40
AOC3 Q16853 1/20 0.39
MPO P05164 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KCNN4 O15554 1/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20465748 0.93
SCHEMBL98875 0.93
SCHEMBL29963524 0.93
Acetic Acid SCHEMBL28094262 0.80 ALDH1A1 (0.49) TAAR1LMNAALDH1A1MEN1KMT2A
Pentachlorophenol SCHEMBL22289263 0.77 TAAR1 (0.41) TAAR1IDO1APOBEC3GLMNAALDH1A1
Phthalic Acid SCHEMBL3628205 0.77 ALDH1A1 (0.54) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL874081 0.76 CES2 (0.46) TAAR1IDO1ALDH1A1MEN1KMT2A
Benzaldehyde SCHEMBL3851217 0.76 ALDH1A1 (0.52) TAAR1IDO1LMNAALDH1A1MEN1
SCHEMBL3858523 0.74 KCNN4 (0.51) TAAR1IDO1APOBEC3GLMNAALDH1A1
SCHEMBL625220 0.73 TAAR1 (0.62) TAAR1IDO1LMNAALDH1A1AOC3

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-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 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 (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-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C TAAR1 1252/4885IDO1 1164/4885APOBEC3G 2411/4885

“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.