SCHEMBL4776765

SCHEMBL4776765

O=C(COC1CCCCO1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HPGD P15428 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
SLC6A3 Q01959 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL13670675 0.92 MEN1 (0.51) MEN1KMT2A
SCHEMBL10509176 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1TDP1
SCHEMBL13742047 0.82 MEN1 (0.46) MEN1KMT2AHPGDKDM4CEP300
SCHEMBL11632204 0.82 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL13581404 0.81 MEN1 (0.46) MEN1KMT2AHPGDKDM4CEP300
SCHEMBL6300033 0.81 MAPT (0.49) MEN1KMT2AKDM4CCYP1A2KDM4E
SCHEMBL31204399 0.80 MEN1 (0.47) MEN1KMT2AKDM4CALDH1A1EP300
SCHEMBL13985724 0.80 KMT2A (0.47) MEN1KMT2AHPGDALDH1A1CYP1A2
SCHEMBL11627980 0.80 MEN1 (0.42) MEN1KMT2AKDM4CALDH1A1EP300
SCHEMBL12100411 0.80 MEN1 (0.47) MEN1KMT2AHPGDKDM4CALDH1A1

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-20210363121-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA UNIV DEGLI STUDI ROMA LA SAPIENZA (IT) 2021-11-25 US disclosed
US-20190337916-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2019-11-07 US disclosed
EP-3562803-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA Università degli Studi di Roma "La Sapienza" (IT) 2019-11-06 EP disclosed
WO-2018122689-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2018-07-05 WO disclosed
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 WO disclosed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO 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-20190337916-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA NOTCH1, DNER, NOTCH2 MEN1 1539/4885KMT2A 910/4885HPGD 2958/4885
US-20210363121-A1 NOTCH INHIBITORS FOR USE IN THE TREATMENT OF T-CELL ACUTE LYMPHOBLASTIC LEUKEMIA NOTCH1, DNER, NOTCH2 MEN1 1539/4885KMT2A 910/4885HPGD 2958/4885

“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.