SCHEMBL7046774

SCHEMBL7046774

CC#COc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.66
▸ KDM4E B2RXH2 11/20 0.66
▸ HSD17B10 Q99714 7/20 0.66
▸ HPGD P15428 6/20 0.66
▸ GAA P10253 8/20 0.59
▸ GLA P06280 7/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALDH2 P05091 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ CA2 P00918 1/20 0.58
▸ STS P08842 1/20 0.58
▸ KMT2A Q03164 5/20 0.56
▸ MAPT P10636 2/20 0.56
▸ NPBWR1 P48145 1/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CASP1 P29466 2/20 0.56
▸ CASP7 P55210 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CA1 P00915 1/20 0.56

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
SCHEMBL30659739 0.88 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL11886589 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10HPGDGAA
Hymecromone Methyl Ether SCHEMBL31103478 0.80 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDGAA
Hymecromone Methyl Ether SCHEMBL314248 0.80 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL3757479 0.78 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL30659716 0.77 CA12 (0.63) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL15842390 0.77 ALDH1A1 (0.71) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL66273 0.76 ALDH1A1 (0.78) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL14176760 0.76 KDM4E (1.00) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL20703812 0.76 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057850-B Aloe-emodin derivative and preparation method and application thereof 中国医学科学院药用植物研究所 2023-11-10 — — CN disclosed
US-6608089-B2 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2003-08-19 — — US disclosed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 — — EP disclosed
US-20020183318-A1 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2002-12-05 — — US disclosed
EP-1212312-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.p.A. (IT) 2002-06-12 — — EP disclosed
WO-2001017985-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.P.A. (IT) 2001-03-15 — — 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-20020183318-A1 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis BRCA1, NCEH1, EZH1 ALDH1A1 2996/4885KDM4E 2953/4885HSD17B10 1245/4885

“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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