SCHEMBL585015

SCHEMBL585015

COc1cc(C#N)c(C=O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PRKDC P78527 2/20 0.53
▸ CYP3A4 P08684 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HMGCR P04035 1/20 0.42
▸ ERN1 O75460 5/20 0.42
▸ TLR2 O60603 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ TLR6 Q9Y2C9 1/20 0.42
▸ IMPDH2 P12268 1/20 0.42
▸ IMPDH1 P20839 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 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
SCHEMBL20136025 0.85 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL12082297 0.82 SMN1; SMN2 (0.52) ALDH1A1MAPTERN1LMNAHPGD
SCHEMBL29198721 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL14965721 0.81 HMGCR (0.42) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL286797 0.80 PRKDC (0.49) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL15268735 0.79 FDPS (0.47) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL15268738 0.79 FDPS (0.47) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29198848 0.79 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL4258349 0.79 ALDH1A1 (0.59) ALDH1A1KDM4EIMPDH2IMPDH1USP2
SCHEMBL5698339 0.79 ALDH1A1 (0.81) ALDH1A1KDM4ETSHRTDP1PRKDC

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
CN-108250127-A A kind of preparation method of isoindoline ketone compound and its derivative 陕西师范大学 2018-07-06 — — CN disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 — — US disclosed
EP-2416879-A1 CYCLIC IMIDATE LIGANDS Universiteit Gent (BE) 2012-02-15 — — EP disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 — — 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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT ALDH1A1 4283/4885KDM4E 1055/4885TSHR 688/4885

“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.

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