SCHEMBL1937755

SCHEMBL1937755

O=C(O)COc1[c]c(OCC(=O)O)ccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.57
▸ CD69 Q07108 4/20 0.55
▸ ALOX15 P16050 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ PTPN7 P35236 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ PTPN12 Q05209 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL902241 0.78 ALOX15 (0.53) KMT2ACD69ALOX15ALDH1A1KDM4E
SCHEMBL1619453 0.75 ALOX15 (0.41) KMT2ACD69ALOX15KDM4ELMNA
SCHEMBL1145948 0.74 KMT2A (0.62) KMT2ACD69ALOX15ALDH1A1KDM4E
SCHEMBL9646424 0.72 KMT2A (0.66) KMT2ACD69ALOX15ALDH1A1KDM4E
SCHEMBL22191169 0.72 KMT2A (0.60) KMT2ACD69ALOX15ALDH1A1KDM4E
SCHEMBL830740 0.72 KMT2A (0.60) KMT2ACD69ALOX15ALDH1A1KDM4E
SCHEMBL20509584 0.72 KMT2A (0.60) KMT2ACD69ALOX15ALDH1A1KDM4E
SCHEMBL6743196 0.72 KMT2A (0.60) KMT2ACD69ALOX15ALDH1A1KDM4E
SCHEMBL3729436 0.72 KMT2A (1.00) KMT2ACD69ALOX15ALDH1A1KDM4E
SCHEMBL2059516 0.72 KMT2A (0.55) KMT2ACD69ALOX15ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212955-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER CANCER RESEARCH INITIATIVES FOUNDATION (MY) 2011-09-01 — — US disclosed
EP-2331520-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER Cancer Research Initiative Foundation (MY) 2011-06-15 — — EP disclosed
WO-2010033011-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER CANCER RESEARCH INITIATIVES FOUNDATION (MY) 2010-03-25 — — WO 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-20110212955-A1 ROSAMINE DERIVATIVES AS AGENTS FOR THE TREATMENT OF CANCER LTB4R, LTB4R2, NR1H3 KMT2A 2654/4885CD69 1960/4885ALOX15 22/4885

“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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