SCHEMBL23175607

SCHEMBL23175607

C=C(CC(C)(C)C)NCCCCCCC(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
LMNA P02545 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL24468883 0.79 KDM4C (0.35) EPHX1LMNAMMP8
SCHEMBL22861695 0.79 KDM4C (0.35) EPHX1LMNAMMP8
SCHEMBL20016520 0.79 KDM4C (0.39) MEN1CYP3A4KMT2AEPHX1LMNA
SCHEMBL24764060 0.79 KDM4C (0.35) EPHX1LMNAMMP8
SCHEMBL25894503 0.79 KDM4C (0.39) MEN1CYP3A4KMT2AEPHX1LMNA
SCHEMBL27106026 0.79 KDM4C (0.39) MEN1CYP3A4KMT2AEPHX1LMNA
SCHEMBL23451083 0.79 EPHX1 (0.38) MEN1KMT2AEPHX1LMNAMMP8
SCHEMBL20123226 0.79 EPHX1 (0.47) EPHX1
SCHEMBL21393320 0.79 EPHX1 (0.47) EPHX1
SCHEMBL24488462 0.79 TDP1 (0.33) EPHX1

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-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 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-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 MEN1 1541/4885CYP3A4 4811/4885ALOX15 2614/4885

“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.