SCHEMBL16226004

SCHEMBL16226004

COc1c(O)cc2c(c1OC)C(=O)c1c(ccc(C)c1O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 7/20 0.61
▸ EPHX2 P34913 4/20 0.61
▸ CTSG P08311 1/20 0.56
▸ ACLY P53396 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GLA P06280 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ LIMK2 P53671 1/20 0.46
▸ PIM1 P11309 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SOS1 Q07889 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 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
SCHEMBL26136410 0.88 ELANE (0.57) ELANEEPHX2CTSGACLYMAPT
SCHEMBL16226540 0.85 EPHX2 (0.65) ELANEEPHX2ACLYMAPTALDH1A1
SCHEMBL31746123 0.85 EPHX2 (0.63) ELANEEPHX2ACLYMAPTALDH1A1
SCHEMBL16226235 0.84 EPHX2 (0.76) ELANEEPHX2ACLYMAPTALDH1A1
SCHEMBL23199061 0.80 ELANE (0.78) ELANEEPHX2CTSGACLYMAPT
SCHEMBL16227224 0.80 EPHX2 (0.65) ELANEEPHX2CTSGMAPTALDH1A1
SCHEMBL28907722 0.80 EPHX2 (0.78) ELANEEPHX2CTSGACLYMAPT
Aurantioobtusin SCHEMBL3189231 0.79 EPHX2 (0.76) ELANEEPHX2ACLYMAPTALDH1A1
Aurantioobtusin SCHEMBL30643536 0.79 EPHX2 (0.76) ELANEEPHX2ACLYMAPTALDH1A1
SCHEMBL29871062 0.78 EPHX2 (0.66) ELANEEPHX2CTSGMAPTPIM1

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 2550/4885EPHX2 2549/4885CTSG 2932/4885

“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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