SCHEMBL25845591

SCHEMBL25845591

COC(=O)CC(C)(C)c1ccc(OCc2cc(F)cc3c2OCO3)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
MMP1 P03956 2/20 0.35
PTGER4 P35408 1/20 0.35
MAOB P27338 1/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL25846310 0.90 PTGER4 (0.38) RAB9ANPC1ALDH1A1GAAKMT2A
SCHEMBL25845606 0.77 NPC1 (0.37) RAB9ANPC1ALDH1A1GAAKDM4E
SCHEMBL25845325 0.75 FFAR1 (0.47)
SCHEMBL25845336 0.75 FFAR1 (0.47)
SCHEMBL25845572 0.73 PPARD (0.45)
SCHEMBL2439272 0.71 GYS1 (0.42) ALDH1A1GAAKDM4EKMT2AMAOB
SCHEMBL18111500 0.70 KMT2A (0.45) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL25846319 0.69 FFAR4 (0.38) RAB9ANPC1ALDH1A1GAAKMT2A
SCHEMBL25845812 0.69 CD274 (0.40) RAB9ANPC1MAOB
SCHEMBL2723561 0.68 ALDH1A1 (0.54) RAB9ANPC1ALDH1A1KMT2AMEN1

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-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
US-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-10-26 US disclosed
EP-4212528-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL APPLICATION THEREOF AB Pharma Ltd. (CN) 2023-07-19 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-20230339919-A1 BENZO OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICAL APPLICATION THEREOF GPR55, GPR65, GPR4 RAB9A 2600/4885NPC1 1707/4885ALDH1A1 1764/4885

“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.