SCHEMBL22917014

SCHEMBL22917014

CC(C)C(=O)NCCCNC(=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 2/20 0.48
ALDH1A2 O94788 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH1A3 P47895 1/20 0.48
USP2 O75604 2/20 0.44
TSHR P16473 1/20 0.44
DPP7 Q9UHL4 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 3/20 0.41
PTGS1 P23219 1/20 0.41
KCNH2 Q12809 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
DRD2 P14416 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
SCHEMBL861034 0.94 KMT2A (0.57) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL23188735 0.92 ALDH1A1 (0.58) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL17777241 0.92 ALDH1A1 (0.58) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL23839910 0.92 ALDH1A1 (0.58) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL23011868 0.91 KDM4E (0.58) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL20346380 0.91 KMT2A (0.50) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL18127307 0.89 KMT2A (0.49) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL20346222 0.89 KMT2A (0.49) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL16187206 0.89 CYP2D6 (0.49) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL12131751 0.88 USP2 (0.55) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119643743-A Method for detecting dimethylketene and application thereof 江苏虹港石化有限公司 2025-03-18 CN disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 US disclosed
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed
US-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2021-01-28 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-20210024540-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 KMT2A 2349/4885CYP2C19 2991/4885CYP2D6 2379/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 KMT2A 2349/4885CYP2C19 2991/4885CYP2D6 2379/4885

“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.