SCHEMBL6344640

SCHEMBL6344640

CCOc1cc(O)c2c(=O)oc(C(C)C(=O)O)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
EGFR P00533 1/20 0.44
RET P07949 1/20 0.44
KDR P35968 1/20 0.44
PTGS2 P35354 3/20 0.43
ADORA3 P0DMS8 2/20 0.41
ANTXR2 P58335 1/20 0.40
QPCT Q16769 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL3191297 0.86 MEN1 (0.45) AKR1C3AKR1C2PTGS2ANTXR2ALDH1A1
SCHEMBL29349908 0.86 MEN1 (0.45) AKR1C3AKR1C2PTGS2ANTXR2ALDH1A1
SCHEMBL7070924 0.81 AKR1C3 (0.33) AKR1C3AKR1C2EGFRRETKDR
Isocoumarin SCHEMBL745168 0.73 AKR1B1 (0.42) AKR1C3AKR1C2PTGS2ALDH1A1KDM4E
SCHEMBL6840653 0.69 EGFR (0.42) EGFRRETKDRADORA3ANTXR2
SCHEMBL6348904 0.68 EGFR (0.42) AKR1C3AKR1C2EGFRRETKDR
SCHEMBL29769302 0.67 MEN1 (0.42) PTGS2ANTXR2ALDH1A1KDM4ENPC1
SCHEMBL6505805 0.67 XDH (0.44) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6945650 0.65 MEN1 (0.48) PTGS2ANTXR2ALDH1A1KDM4ENPC1
SCHEMBL6352501 0.65 RECQL (0.45) AKR1C3AKR1C2PTGS2ANTXR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900239-B2 Tumor chemopotentiation using isocoumarin derivatives ILWZ ILEX PRODUCTS, INC. (US) 2005-05-31 US disclosed
US-6589981-B2 Combination treatment with ionizing radiation and/or chemotherapy ILEX ONCOLOGY, INC. 2003-07-08 US disclosed
US-20020165210-A1 Tumor chemopotentiation using isocoumarin derivatives GENZYME CORPORATION 2002-11-07 US disclosed
US-20020019366-A1 Tumor radiosensitization and/or chemopotentiation using isocoumarin derivatives GLBC LLC 2002-02-14 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 (2 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-20020019366-A1 Tumor radiosensitization and/or chemopotentiation using isocoumarin derivatives HCCS, IDH2, IDH3A AKR1C3 3094/4885AKR1C2 2076/4885EGFR 3349/4885
US-20020165210-A1 Tumor chemopotentiation using isocoumarin derivatives MCL1, IDH2, MYADM AKR1C3 2208/4885AKR1C2 1151/4885EGFR 2229/4885

“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.