SCHEMBL19987556

SCHEMBL19987556

CCOC(=O)CC(=O)c1ccc(O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
HPGD P15428 2/20 0.47
HSD17B2 P37059 1/20 0.45
ESR1 P03372 2/20 0.45
TSHR P16473 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ESR2 Q92731 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
SCHEMBL29254490 0.87 ALDH1A1 (0.54) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL30951612 0.87 ALDH1A1 (0.54) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL9471937 0.84 HSP90AA1 (0.51) KMT2AALDH1A1MEN1KDM4ECA12
SCHEMBL25966580 0.83 HSD17B2 (0.68) KMT2AALDH1A1MEN1KDM4EHSD17B2
SCHEMBL30081035 0.83 MEN1 (0.50) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL22257233 0.83 ALDH1A1 (0.50) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL5773909 0.83 MEN1 (0.50) KMT2AALDH1A1MEN1KDM4EHPGD
SCHEMBL10568457 0.81 MEN1 (0.64) KMT2AALDH1A1MEN1KDM4EHSD17B2
SCHEMBL10459828 0.80 CA12 (0.46) KMT2AKDM4ECA12CA1CA2
SCHEMBL17290642 0.80 TAS1R3 (0.50) KMT2AALDH1A1MEN1KDM4EHPGD

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-20240018114-A1 PREPARATION METHOD FOR CANNFLAVIN COMPOUNDS DEYI PHARMACEUTICAL LTD. (CN) 2024-01-18 US disclosed
CN-109134444-B 3- (2-furan) -4-hydroxycoumarin compound, preparation method thereof and application thereof in resisting plant fungi 陕西师范大学 2021-07-23 CN disclosed
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP 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-20240018114-A1 PREPARATION METHOD FOR CANNFLAVIN COMPOUNDS HSPB1, HMBS, CYP8B1 KMT2A 817/4885ALDH1A1 882/4885MEN1 1378/4885

“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.