SCHEMBL9893607

SCHEMBL9893607

CC(C)(C)OC(=O)Oc1cccc(B(O)OC(C)(C)C(C)(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
KDM1A O60341 1/20 0.35
CA2 P00918 1/20 0.35
CYP26B1 Q9NR63 1/20 0.35
ENPP2 Q13822 1/20 0.35
CYP3A4 P08684 1/20 0.34
SLC5A1 P13866 1/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL9893670 0.85 CYP3A4 (0.50) ENPP2CYP3A4LMNAMEN1KMT2A
SCHEMBL17221783 0.84 ELANE (0.53) ELANEKDM1ACA2MEN1KMT2A
SCHEMBL13778256 0.82 ENPP2 (0.53) ELANEKDM1ACA2CYP26B1ENPP2
SCHEMBL5149318 0.81 ENPP2 (0.38) CA2CYP26B1ENPP2LMNAMEN1
SCHEMBL2376954 0.81 ENPP2 (0.40) CYP26B1ENPP2
SCHEMBL2300859 0.79 ENPP2 (0.57) CA2ENPP2CYP3A4LMNA
SCHEMBL9893568 0.76 HDAC3 (0.42) CA2
SCHEMBL13571463 0.74 RXRA (0.40) CA2KMT2A
SCHEMBL1015209 0.74 ALDH1A1 (0.45) MEN1KMT2A
SCHEMBL9893413 0.74 ELANE (0.37) ELANEENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
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 (2 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 4000/4885KDM1A 4657/4885CA2 3510/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ELANE 4000/4885KDM1A 4657/4885CA2 3510/4885

“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.