SCHEMBL16226578

SCHEMBL16226578

COc1c(O)c(O)cc2c1C(=O)c1c(cc(C)c(O)c1O)C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.68
▸ EGFR P00533 2/20 0.50
▸ CDK4 P11802 2/20 0.50
▸ CCND1 P24385 2/20 0.50
▸ PIM1 P11309 1/20 0.50
▸ BCL2 P10415 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ ACLY P53396 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GLA P06280 2/20 0.45
▸ LCK P06239 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ LIMK1 P53667 1/20 0.45
▸ LIMK2 P53671 1/20 0.45
▸ ELANE P08246 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL16226540 0.91 EPHX2 (0.65) EPHX2EGFRCDK4CCND1PIM1
SCHEMBL16226848 0.89 EPHX2 (0.65) EPHX2EGFRCDK4CCND1PIM1
Aurantioobtusin SCHEMBL3189231 0.88 EPHX2 (0.76) EPHX2EGFRCDK4CCND1PIM1
Aurantioobtusin SCHEMBL30643536 0.88 EPHX2 (0.76) EPHX2EGFRCDK4CCND1PIM1
SCHEMBL16226235 0.86 EPHX2 (0.76) EPHX2EGFRCDK4CCND1PIM1
SCHEMBL16226676 0.84 EPHX2 (0.86) EPHX2EGFRCDK4CCND1PIM1
SCHEMBL28907722 0.82 EPHX2 (0.78) EPHX2PIM1BCL2MCL1ACLY
SCHEMBL27927334 0.82 EPHX2 (0.86) EPHX2EGFRCDK4CCND1PIM1
SCHEMBL31746123 0.82 EPHX2 (0.63) EPHX2EGFRCDK4CCND1PIM1
SCHEMBL16226754 0.81 EPHX2 (1.00) EPHX2PIM1ACLYMAPTALDH1A1

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 EPHX2 2549/4885EGFR 656/4885CDK4 1290/4885

“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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