SCHEMBL10001994

SCHEMBL10001994

CCOC(=O)C1CC(=O)C(C(=O)C2CC2)=C(O)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
BUB1 O43683 1/20 0.40
MAPT P10636 4/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
PDK1 Q15118 1/20 0.35

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
SCHEMBL24413554 0.87 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EBUB1MAPT
SCHEMBL7713810 0.81 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EBUB1MAPT
SCHEMBL4284354 0.77 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EBUB1MAPT
SCHEMBL10337538 0.77 BUB1 (0.49) ALDH1A1KMT2AKDM4EBUB1MAPT
SCHEMBL4292313 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EBUB1MAPT
SCHEMBL4281310 0.75 KDM4E (0.44) ALDH1A1KMT2AKDM4EBUB1MEN1
SCHEMBL4289348 0.75 POLB (0.46) ALDH1A1KMT2AKDM4EBUB1HPGD
SCHEMBL118484 0.74 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL24118749 0.73 MAPT (0.37) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL24413557 0.73 BUB1 (0.53) ALDH1A1KMT2AKDM4EBUB1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200383-A1 NEW TRINEXAPAC-ETHYL MICROEMULSION COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-06-29 US disclosed
US-20230200383-A1 NEW TRINEXAPAC-ETHYL MICROEMULSION COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2023-06-29 US disclosed
US-20210392890-A1 COMPOSITIONS COMPRISING PYRIDINE CARBOXYLATE HERBICIDES AND PLANT GROWTH REGULATORS CORTEVA AGRISCIENCE LLC (US) 2021-12-23 US disclosed
US-8105980-B1 Method of increasing the content of flavonoids and phenolic substances substances inplants BASF AKTIENGESELLSCHAFT (DE) 2012-01-31 US disclosed
US-8105980-B1 Method of increasing the content of flavonoids and phenolic substances substances inplants BASF AKTIENGESELLSCHAFT (DE) 2012-01-31 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-20230200383-A1 NEW TRINEXAPAC-ETHYL MICROEMULSION COMPOSITIONS NAPEPLD, PHOSPHO1, IPMK ALDH1A1 4772/4885KMT2A 3093/4885KDM4E 835/4885
US-20210392890-A1 COMPOSITIONS COMPRISING PYRIDINE CARBOXYLATE HERBICIDES AND PLANT GROWTH REGULATORS GRHPR, PPARG, PGR ALDH1A1 3199/4885KMT2A 2822/4885KDM4E 700/4885

“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.