SCHEMBL3045939

SCHEMBL3045939

CCC(C)C(=O)c1c(O)cc(O)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
PTGS1 P23219 1/20 0.53
DRD3 P35462 1/20 0.53
FBP1 P09467 1/20 0.50
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
FFAR1 O14842 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ACHE P22303 2/20 0.42
FASN P49327 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
SCHEMBL3055747 1.00 CYP3A4 (0.53) CYP3A4MEN1KMT2APTGS1DRD3
Phloroisobutyrophenone SCHEMBL2150396 0.79 FFAR1 (0.68) CYP3A4MEN1KMT2APTGS1DRD3
SCHEMBL30550437 0.78 FBP1 (0.56) CYP3A4MEN1KMT2APTGS1DRD3
SCHEMBL28598764 0.77 FBP1 (0.55) CYP3A4MEN1KMT2APTGS1DRD3
SCHEMBL28604120 0.77 FBP1 (0.55) CYP3A4MEN1KMT2APTGS1DRD3
SCHEMBL9407152 0.76 HSP90AB1 (0.58) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL9407157 0.76 HSP90AB1 (0.58) CYP3A4MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL457056 0.75 GAA (0.51) CYP3A4MEN1KMT2AHPGDTDP1
SCHEMBL17203057 0.75 CYP3A4 (0.52) CYP3A4MEN1KMT2APTGS1DRD3
SCHEMBL28603873 0.74 FBP1 (0.52) CYP3A4MEN1KMT2AFBP1NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119895037-A System for enhancing target mRNA expression and uses thereof 约翰霍普金斯大学 2025-04-25 CN claimed
US-20250162973-A1 METHODS OF SYNTHESIS AND USES OF AGRIMOL COMPOUNDS University of Hong Kong Versitech Limited (CN) 2025-05-22 US disclosed
WO-2025104281-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2025-05-22 WO disclosed
EP-4556004-A1 HOP DERIVED COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES CAUSED BY CORONAVIRUSES Centre National de la Recherche Scientifique (FR) 2025-05-21 EP disclosed
CN-118973992-A Synthetic method and application of agrimony phenol compound 港大科桥有限公司 2024-11-15 CN disclosed
WO-2023160543-A9 METHODS OF SYNTHESIS AND USES OF AGRIMOL COMPOUNDS VERSITECH LIMITED (CN) 2024-09-26 WO disclosed
WO-2023160543-A1 METHODS OF SYNTHESIS AND USES OF AGRIMOL COMPOUNDS VERSITECH LIMITED (CN) 2023-08-31 WO disclosed
CN-112410389-B Application of branched-chain alpha-keto acid dehydrogenase complex in preparation of malonyl-CoA 中国科学院微生物研究所 2023-07-18 CN disclosed
US-20220380822-A1 APPLICATION OF BRANCHED-CHAIN A-KETOACID DEHYDROGENASE COMPLEX IN PREPARATION OF MALONYL COENZYME A INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES (CN) 2022-12-01 US disclosed
WO-2021036901-A1 APPLICATION OF BRANCHED-CHAIN α-KETOACID DEHYDROGENASE COMPLEX IN PREPARATION OF MALONYL COENZYME A 中国科学院微生物研究所 2021-03-04 WO disclosed
CN-112410389-A Application of branched-chain alpha-ketoacid dehydrogenase complex in preparation of malonyl-CoA 中国科学院微生物研究所 2021-02-26 CN disclosed
US-20100222426-A1 Anti-Bacterial Agents SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2010-09-02 US disclosed
EP-2203404-A2 ANTI-BACTERIAL AGENTS SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2010-07-07 EP disclosed
WO-2009034346-A2 ANTI-BACTERIAL AGENTS SCHOOL OF PHARMACY (GB) 2009-03-19 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 (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-20100222426-A1 Anti-Bacterial Agents B3GNT2, LSS, GNE CYP3A4 3528/4885MEN1 4090/4885KMT2A 2883/4885
US-20250162973-A1 METHODS OF SYNTHESIS AND USES OF AGRIMOL COMPOUNDS GOLIM4, GOLT1B, GOLGA2 CYP3A4 1486/4885MEN1 2581/4885KMT2A 4830/4885

“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.