SCHEMBL16226916

SCHEMBL16226916

COc1cc2c(c(O)c1C)C(=O)c1c(O)cc(C)cc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ ALOX15 P16050 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ GLA P06280 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ PIM1 P11309 2/20 0.63
▸ ACLY P53396 9/20 0.60
▸ EPHX2 P34913 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ PTP4A3 O75365 1/20 0.58
▸ GMNN O75496 1/20 0.58
▸ LMNA P02545 1/20 0.58

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
SCHEMBL16226994 0.90 ELANE (0.66) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL29359746 0.90 ELANE (0.66) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL29361502 0.90 ELANE (0.66) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL23199021 0.86 ACLY (0.72) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL23199046 0.84 PIM1 (0.66) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL23198975 0.84 EPHX2 (0.65) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL3272698 0.82 EPHX2 (0.68) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL29709334 0.81 EPHX2 (0.74) ELANEALDH1A1MAPTALOX15KDM4E
SCHEMBL29709363 0.81 PIM1 (0.69) ELANEALDH1A1MAPTALOX15KDM4E
Questin SCHEMBL29359576 0.81 ELANE (0.73) ELANEALDH1A1MAPTALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 ELANE 2550/4885ALDH1A1 1004/4885MAPT 3619/4885

“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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