SCHEMBL24454459

SCHEMBL24454459

CCOC(=O)CC1CC2(CCO1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 2/20 0.37
MIF P14174 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33
GRIN2B Q13224 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL29133611 0.81 MIF (0.36) ALDH1A1POLBMIFLMNATSHR
SCHEMBL29272325 0.76 POLB (0.38) ALDH1A1POLBMIFLMNATSHR
SCHEMBL24993950 0.76 CYP2C19 (0.37) ALDH1A1CYP3A4CYP2C19CYP2C9POLB
SCHEMBL28474394 0.76 GAA (0.43) ALDH1A1POLBMIFLMNATSHR
SCHEMBL30236895 0.75 MIF (0.31) POLBMIFSIGMAR1
SCHEMBL169393 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C19CYP2C9POLB
SCHEMBL22273315 0.73 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C19CYP2C9POLB
SCHEMBL31013161 0.73 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C19CYP2C9POLB
SCHEMBL31013030 0.73 ALDH1A1 (0.38) ALDH1A1CYP3A4CYP2C19CYP2C9POLB
SCHEMBL7804568 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116943-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-04-11 US disclosed
EP-4227308-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF Japan Tobacco Inc. (JP) 2023-08-16 EP disclosed
CN-116437927-A Tetrahydrobenzodiazepine ketone compound and pharmaceutical application thereof 日本烟草产业株式会社 2023-07-14 CN disclosed
US-11643417-B2 Tetrahydrobenzofurodiazepinone compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-05-09 US disclosed
US-11643417-B2 Tetrahydrobenzofurodiazepinone compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-05-09 US disclosed
US-20220162220-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2022-05-26 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 (3 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-20240116943-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF PIM1, PIM2, PIM3 ALDH1A1 76/4885CYP3A4 92/4885CYP2C19 17/4885
US-11643417-B2 Tetrahydrobenzofurodiazepinone compound and pharmaceutical use thereof PIM1, PIM2, PIM3 ALDH1A1 76/4885CYP3A4 92/4885CYP2C19 17/4885
US-20220162220-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF PIM1, PIM2, PIM3 ALDH1A1 76/4885CYP3A4 92/4885CYP2C19 17/4885

“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.