SCHEMBL23266142

SCHEMBL23266142

COc1ccccc1C#CCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP1A2 P05177 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ FFAR1 O14842 1/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL13520593 0.88 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30780882 0.85 FFAR1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30780883 0.85 FFAR1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6814216 0.85 FFAR1 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL31314627 0.81 CYP2C9 (0.45) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL28352745 0.79 CA1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19FFAR1
SCHEMBL4861567 0.78 ATM (0.47) ALDH1A1CYP1A2CYP3A4MAPTCA1
SCHEMBL10740501 0.78 CYP3A4 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL4214499 0.78 CA1 (0.60) ALDH1A1KDM4ECYP3A4MAPTFFAR1
SCHEMBL30022461 0.78 CA1 (0.60) ALDH1A1KDM4ECYP3A4MAPTFFAR1

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-11325937-B2 Glycoside compound and preparation method therefor, composition, application, and intermediate SHANGHAI HUTCHISON PHARMACEUTICALS LIMITED (CN) 2022-05-10 — — US disclosed
EP-3819303-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE Shanghai Hutchison Pharmaceuticals Limited (CN) 2021-05-12 — — EP disclosed
US-20210115082-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE SHANGHAI HUTCHISON PHARMACEUTICALS LIMITED (CN) 2021-04-22 — — 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-11325937-B2 Glycoside compound and preparation method therefor, composition, application, and intermediate VEGFA, FLT4, FLT1 ALDH1A1 789/4885CYP1A2 2023/4885CYP2C9 2799/4885
US-20210115082-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE VEGFA, FLT4, FLT1 ALDH1A1 789/4885CYP1A2 2023/4885CYP2C9 2799/4885

“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.

Send feedback