SCHEMBL12948853

SCHEMBL12948853

CC(C)C(=O)NCCCN=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALDH1A2 O94788 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH1A3 P47895 1/20 0.39
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DPP7 Q9UHL4 2/20 0.35
MEN1 O00255 2/20 0.34
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 2/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL22045040 0.87 KMT2A (0.42) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A2
SCHEMBL28806648 0.86 KMT2A (0.50) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A2
SCHEMBL861034 0.82 KMT2A (0.57) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A2
SCHEMBL22917014 0.82 KMT2A (0.57) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A2
SCHEMBL22044592 0.80 KMT2A (0.38) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A1
SCHEMBL23839910 0.80 ALDH1A1 (0.58) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A2
SCHEMBL17777241 0.80 ALDH1A1 (0.58) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A2
SCHEMBL23188735 0.80 ALDH1A1 (0.58) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A2
SCHEMBL17680116 0.79 CYP2C19 (0.44) KMT2ACYP2C19CYP2D6CYP2C9ALDH1A2
SCHEMBL92951 0.77 KEAP1 (0.60) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778573-A1 COMPOUND WITH ANTICANCER ACTIVITY Kyowa Kirin Co., Ltd. (JP) 2021-02-17 EP disclosed
US-20180085487-A1 POLYMER PARTICLES TERUMO CORPORATION (JP) 2018-03-29 US disclosed
US-20180085487-A1 POLYMER PARTICLES TERUMO CORPORATION (JP) 2018-03-29 US disclosed
EP-3181619-A1 POLYMER FUNCTIONAL FILM, PRODUCTION METHOD THEREOF, AND STACK OR DEVICE PROVIDED WITH POLYMER FUNCTIONAL FILM Fujifilm Corporation (JP) 2017-06-21 EP disclosed
WO-2011011508-A1 BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS SCHERING CORPORATION (US) 2011-01-27 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 (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-20180085487-A1 POLYMER PARTICLES PCBP1, LCP1, PSAP KMT2A 4455/4885CYP2C19 4057/4885CYP2D6 4574/4885

“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.