SCHEMBL9893670

SCHEMBL9893670

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
LMNA P02545 1/20 0.46
ACHE P22303 2/20 0.43
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ENPP2 Q13822 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX2 P34913 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9893607 0.85 ELANE (0.41) CYP3A4LMNAKMT2AMEN1ENPP2
SCHEMBL5149318 0.84 ENPP2 (0.38) LMNAKMT2AMEN1ENPP2ALDH1A1
SCHEMBL2300859 0.82 ENPP2 (0.57) CYP3A4LMNAACHEENPP2ALDH1A1
SCHEMBL9893560 0.82 LMNA (0.44) CYP3A4LMNAKMT2AMEN1ALDH1A1
SCHEMBL2376954 0.81 ENPP2 (0.40) ENPP2
SCHEMBL15192320 0.78 ATM (0.46) CYP3A4LMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13571463 0.77 RXRA (0.40) KMT2AHSD17B10NPC1TP53RAB9A
SCHEMBL2537749 0.77 ENPP2 (0.61) CYP3A4LMNAACHEKMT2AMEN1
SCHEMBL1015209 0.77 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1HSD17B10TP53
SCHEMBL364762 0.76 PPARA (0.47) CYP3A4LMNAALDH1A1HSD17B10GAA

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 CYP3A4 3867/4885LMNA 3453/4885ACHE 3196/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CYP3A4 3867/4885LMNA 3453/4885ACHE 3196/4885

“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.