SCHEMBL16226676

SCHEMBL16226676

COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O)c1O)C2=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.86
▸ ELANE P08246 4/20 0.49
▸ PIM1 P11309 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ GLA P06280 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ FYN P06241 1/20 0.39

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
Chrysoobtusin SCHEMBL16226057 0.93 EPHX2 (1.00) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL27927334 0.93 EPHX2 (0.86) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL16932396 0.91 EPHX2 (0.81) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL29396060 0.88 EPHX2 (1.00) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL16226754 0.88 EPHX2 (1.00) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL31322006 0.88 EPHX2 (1.00) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL29709334 0.87 EPHX2 (0.74) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL16226540 0.87 EPHX2 (0.65) EPHX2ELANEPIM1ALDH1A1MAPT
SCHEMBL29709367 0.84 EPHX2 (0.70) EPHX2ELANEPIM1ALDH1A1CYP1A2
SCHEMBL16226578 0.84 EPHX2 (0.68) EPHX2ELANEPIM1ALDH1A1MAPT

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 2549/4885ELANE 2550/4885PIM1 4333/4885

“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.

Send feedback