SCHEMBL22490589

SCHEMBL22490589

CCOC(COc1c(F)ccc2c(C)cc(=O)n(C)c12)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.48
NQO2 P16083 8/20 0.48
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
BRD4 O60885 1/20 0.32
KAT2B Q92831 1/20 0.30
PKM P14618 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
TSHR P16473 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL22490631 0.81 PKM (0.33) MEN1KMT2APKM
SCHEMBL23084916 0.78 CYP19A1 (0.56) CYP19A1NQO2KDM4EMEN1KMT2A
SCHEMBL29712069 0.78 CYP19A1 (0.56) CYP19A1NQO2KDM4EMEN1KMT2A
SCHEMBL22490629 0.78 MEN1 (0.32) MEN1KMT2AALDH1A1PKMCYP1A2
SCHEMBL22490612 0.74 CYP1A2 (0.34) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL22490611 0.69 NQO2 (0.51) CYP19A1NQO2KDM4EALDH1A1KAT2B
SCHEMBL30449477 0.69 NQO2 (0.51) CYP19A1NQO2KDM4EALDH1A1KAT2B
SCHEMBL21820274 0.69 NQO2 (0.51) CYP19A1NQO2KDM4EALDH1A1KAT2B
SCHEMBL21820270 0.66 NQO2 (0.46) CYP19A1NQO2KDM4EBRD4KAT2B
SCHEMBL29712035 0.66 NQO2 (0.46) CYP19A1NQO2KDM4EBRD4KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111527093-B Antibacterial heterocyclic compounds and synthesis thereof 巴格沃克斯研究有限公司 2023-06-09 CN disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 EP disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 EP disclosed
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis Bugworks Research, Inc. (US) 2022-08-02 US disclosed
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. 2021-03-11 US disclosed
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. 2021-03-11 US disclosed
EP-3717490-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. (US) 2020-10-07 EP disclosed
CN-111527093-A Antibacterial heterocyclic compounds and synthesis thereof 巴格沃克斯研究有限公司 2020-08-11 CN 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-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS HLA-B, BAX, REN CYP19A1 1627/4885NQO2 1426/4885KDM4E 4263/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN CYP19A1 1627/4885NQO2 1426/4885KDM4E 4263/4885

“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.