SCHEMBL6607899

SCHEMBL6607899

COc1ccc(C2(C#N)CCC(=CC(=O)O)CC2)c2c1OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4B Q07343 10/20 0.34
PDE4A P27815 9/20 0.34
PDE4C Q08493 9/20 0.34
PDE4D Q08499 9/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 2/20 0.32
USP2 O75604 1/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL6604243 0.87 ALDH1A1 (0.38) KDM4ELMNAALDH1A1HSD17B10POLB
SCHEMBL6607682 0.83 PDE4D (0.46) KDM4ELMNAALDH1A1HSD17B10PDE4B
Ethylene SCHEMBL7250284 0.81 PDE4D (0.45) KDM4ELMNAALDH1A1HSD17B10PDE4B
SCHEMBL6607854 0.80 PDE4B (0.53) KDM4ELMNAALDH1A1HSD17B10PDE4B
SCHEMBL4958570 0.80 PDE4B (0.53) KDM4ELMNAALDH1A1HSD17B10PDE4B
SCHEMBL29357646 0.80 PDE4B (0.53) KDM4ELMNAALDH1A1HSD17B10PDE4B
SCHEMBL6607847 0.80 PDE4B (0.53) KDM4ELMNAALDH1A1HSD17B10PDE4B
SCHEMBL6603711 0.79 LMNA (0.41) KDM4ELMNAALDH1A1HSD17B10POLB
SCHEMBL6606408 0.77 FFAR4 (0.41) KDM4ELMNAALDH1A1HSD17B10PDE4B
SCHEMBL6601913 0.77 LMNA (0.41) KDM4ELMNAALDH1A1HSD17B10PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110961-B1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2004-07-14 EP disclosed
US-6376535-B2 PHOSPHODIESTERASE (PDE) INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-04-23 US disclosed
US-20010056117-A1 Oxygen-containing heterocyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2001-12-27 US disclosed
EP-1110961-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-06-27 EP 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-20010056117-A1 Oxygen-containing heterocyclic compounds CBR1, CBR3, MT-CO1 KDM4E 444/4885LMNA 4242/4885ALDH1A1 232/4885

“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.