SCHEMBL9891000

SCHEMBL9891000

CCOC(=O)C(C)(CC)CCC1CCC(N)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
HTT P42858 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL9890999 0.86 CYP4F2 (0.35) CYP4F2CYP4A11GAACNR2MEN1
SCHEMBL9891008 0.83 GNAI3 (0.36) CYP4F2CYP4A11MEN1KMT2ATHRB
SCHEMBL9891004 0.77 GAA (0.39) GAAMEN1KMT2ATHRBHTT
SCHEMBL9891006 0.76 HPGD (0.44) GAAMEN1KMT2APKM
SCHEMBL9890998 0.73 EPHX1 (0.39)
SCHEMBL17617167 0.73 CYP4F2 (0.44) CYP4F2CYP4A11GAAMEN1KMT2A
SCHEMBL17617205 0.73 CYP4F2 (0.44) CYP4F2CYP4A11GAAMEN1KMT2A
SCHEMBL8716223 0.72 SMYD3 (0.55) SMYD3GAAMEN1KMT2A
SCHEMBL8716219 0.72 SMYD3 (0.55) SMYD3GAAMEN1KMT2A
SCHEMBL6383219 0.72 ALDH1A1 (0.46) CYP4F2CYP4A11GAAMEN1KMT2A

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-20120142722-A1 CONJUGATES OF CYTOTOXIC DRUGS APOSENSE LTD. (IL) 2012-06-07 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-20120142722-A1 CONJUGATES OF CYTOTOXIC DRUGS CD47, MCL1, BAD SMYD3 2110/4885CYP4F2 2276/4885CYP4A11 2166/4885

“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.