SCHEMBL9946155

SCHEMBL9946155

CC(C)(C)OC(=O)Oc1ccccc1C1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.38
ABCB1 P08183 1/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM1A O60341 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
HIF1A Q16665 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
SCHEMBL9946136 0.81 L3MBTL1 (0.48) LMNAL3MBTL1KDM4EHPGDHSD17B10
SCHEMBL16687457 0.75 ELANE (0.38) ELANEBRD4
SCHEMBL9946161 0.74 ELANE (0.54) ELANELMNANPSR1KDM1AHPGD
SCHEMBL9946163 0.74 LMNA (0.43) ELANEABCB1LMNABRD4IDO1
SCHEMBL9946156 0.74 ELANE (0.43) ELANELMNAKDM1AKDM4EMEN1
SCHEMBL1790296 0.73 PTGDR2 (0.52) ELANEMEN1KMT2ACYP2C9SLC6A2
SCHEMBL8402937 0.72 ELANE (0.46) ELANELMNAKDM1AKDM4EHPGD
SCHEMBL1787910 0.72 TDP1 (0.55) ELANENPSR1KDM4EHPGDHSD17B10
SCHEMBL20382703 0.71 ELANE (0.47) ELANELMNANPSR1L3MBTL1KDM4E
SCHEMBL14894503 0.71 ELANE (0.47) ELANEMAPTKDM1AKDM4EHPGD

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ELANE 4000/4885ABCB1 666/4885LMNA 3453/4885

“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.