SCHEMBL29477373

SCHEMBL29477373

CC(=O)Oc1ccc([C@@H]2CC(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3O2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.69
ACHE P22303 2/20 0.69
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
ROR1 Q01973 1/20 0.55
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP19A1 P11511 1/20 0.53
TAS2R31 P59538 1/20 0.53

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
SCHEMBL31022637 1.00 BCHE (0.69) BCHEACHEALDH1A1KDM4ECYP3A4
SCHEMBL6726363 1.00 BCHE (0.69) BCHEACHEALDH1A1KDM4ECYP3A4
SCHEMBL6726368 1.00 BCHE (0.69) BCHEACHEALDH1A1KDM4ECYP3A4
SCHEMBL23813679 0.91 BCHE (0.64) BCHEACHEALDH1A1KDM4ECYP3A4
SCHEMBL10005479 0.91 BCHE (0.58) BCHEACHEALDH1A1KDM4ECYP3A4
SCHEMBL4151033 0.91 BCHE (0.58) BCHEACHEALDH1A1KDM4ECYP3A4
Naringenin SCHEMBL20581710 0.90 CYP19A1 (0.65) BCHEACHEALDH1A1CYP3A4HPGD
SCHEMBL28381344 0.90 BCHE (0.57) BCHEACHEALDH1A1KDM4ECYP3A4
SCHEMBL16781757 0.90 BCHE (0.62) BCHEACHEALDH1A1KDM4ECYP3A4
SCHEMBL6731654 0.89 BCHE (0.56) BCHEACHEALDH1A1KDM4ECYP3A4

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-12115178-B2 Acylated active agents and methods of their use for the treatment of autoimmune disorders FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-10-15 US disclosed
US-20240180941-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-06-06 US disclosed
US-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2023-11-14 US disclosed
US-20220110960-A1 ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISORDERS FLAGSHIP PIONEERING INNOVATIONS V, INC. 2022-04-14 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 (4 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-11813272-B2 Active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease FABP1, PYGL, LIPC BCHE 655/4885ACHE 2189/4885ALDH1A1 410/4885
US-20240180941-A1 ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS AND NONALCOHOLIC FATTY LIVER DISEASE FABP1, PYGL, LIPC BCHE 655/4885ACHE 2189/4885ALDH1A1 410/4885
US-20220110960-A1 ACYLATED ACTIVE AGENTS AND METHODS OF THEIR USE FOR THE TREATMENT OF AUTOIMMUNE DISORDERS ENPP2, MBOAT7, AADAC BCHE 901/4885ACHE 1525/4885ALDH1A1 759/4885
US-12115178-B2 Acylated active agents and methods of their use for the treatment of autoimmune disorders ENPP2, MBOAT7, AADAC BCHE 901/4885ACHE 1525/4885ALDH1A1 759/4885

“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.