SCHEMBL26501074

SCHEMBL26501074

CC(C)C(=O)CCOCCc1cn(C(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.33
KEAP1 Q14145 3/20 0.33
NFE2L2 Q16236 3/20 0.33
DDX3X O00571 1/20 0.33
POLB P06746 1/20 0.32
MIF P14174 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL17324236 0.86 CYP19A1 (0.38) CYP19A1KEAP1NFE2L2POLBMIF
SCHEMBL21152290 0.83 CYP19A1 (0.39) CYP19A1POLBMIFMEN1KMT2A
SCHEMBL26501114 0.82 HDAC1 (0.34) DDX3X
SCHEMBL26501075 0.78 CYP19A1 (0.33) CYP19A1KEAP1NFE2L2DDX3XPOLB
SCHEMBL18751728 0.77 MMP2 (0.39)
SCHEMBL21790525 0.77 CYP19A1 (0.36) CYP19A1KEAP1NFE2L2
SCHEMBL16674191 0.76 CYP1A2 (0.41) CYP19A1POLBALDH1A1
SCHEMBL14434944 0.75 CYP19A1 (0.42) CYP19A1POLBALDH1A1
SCHEMBL18751721 0.74 EPHX2 (0.43)
SCHEMBL25974521 0.74 DGAT1 (0.40) DDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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 (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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS CYP19A1 3822/4885KEAP1 132/4885NFE2L2 1251/4885

“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.