SCHEMBL9893413

SCHEMBL9893413

CC(C)(C)OC(=O)Oc1ccccc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
ENPP2 Q13822 1/20 0.33
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BRD4 O60885 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
SCHEMBL9893638 0.85 PTGS2 (0.41) ENPP2ORAI1ORAI2ORAI3KDM4E
SCHEMBL3465794 0.78 ENPP2 (0.56) ENPP2ORAI1ORAI2ORAI3KDM4E
SCHEMBL14118994 0.78 ADRA1A (0.37) HSD17B10
SCHEMBL17221783 0.75 ELANE (0.53) ELANE
SCHEMBL924510 0.75 RXFP1 (0.40) BRD4
SCHEMBL3825559 0.74 ENPP2 (0.36) ENPP2ORAI1ORAI2ORAI3
SCHEMBL9893607 0.74 ELANE (0.41) ELANEENPP2
SCHEMBL840950 0.73 ENPP2 (0.32) ENPP2ORAI1ORAI2ORAI3HSD17B10
SCHEMBL5899432 0.73 TSHR (0.36) ENPP2ORAI1ORAI2ORAI3KDM4E
SCHEMBL15455586 0.73 ALDH1A1 (0.39) KDM4EHPGDHSD17B10

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 4000/4885ENPP2 147/4885ORAI1 2016/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 ELANE 4000/4885ENPP2 147/4885ORAI1 2016/4885

“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.