SCHEMBL16227224

SCHEMBL16227224

COc1cc2c(c(OC)c1O)C(=O)c1ccc(C)c(O)c1C2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.65
▸ ELANE P08246 6/20 0.61
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CTSG P08311 1/20 0.46
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SOS1 Q07889 2/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ LIMK2 P53671 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
SCHEMBL29871062 0.90 EPHX2 (0.66) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL26136410 0.82 ELANE (0.57) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL16226288 0.82 EPHX2 (0.54) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL16226054 0.82 EPHX2 (0.57) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL18601894 0.81 RAB9A (0.62) EPHX2NPC1RAB9AMAPTMEN1
SCHEMBL16226004 0.80 ELANE (0.61) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL28518188 0.77 EPHX2 (0.87) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL28168311 0.77 ELANE (0.53) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL16226388 0.76 MEN1 (0.60) EPHX2ELANENPC1RAB9AMAPT
SCHEMBL28872286 0.76 EPHX2 (0.60) EPHX2ELANENPC1RAB9AMAPT

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 2550/4885NPC1 4423/4885

“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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