SCHEMBL9893560

SCHEMBL9893560

CC(=O)Oc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
ELANE P08246 5/20 0.40
HSD17B10 Q99714 1/20 0.39
GAA P10253 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TTR P02766 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.36
ESR1 P03372 1/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL17221783 0.84 ELANE (0.53) ELANEMEN1KMT2A
SCHEMBL9893670 0.82 CYP3A4 (0.50) LMNAMAPTHSD17B10GAAALDH1A1
SCHEMBL366006 0.80 CA1 (0.52) ELANE
SCHEMBL27143528 0.80 LMNA (0.50) LMNAMAPTPOLBPKMELANE
SCHEMBL4555864 0.78 SMN1; SMN2 (0.58) LMNAMAPTPOLBHSD17B10GAA
SCHEMBL19433226 0.78 CA2 (0.42)
SCHEMBL135488 0.78 TP53 (0.40) ALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL16346292 0.77 TNFSF11 (0.41) MAPTPOLBPKMHSD17B10GAA
SCHEMBL9894132 0.77 NR3C1 (0.47) MAPTPOLBPKMGAAALDH1A1
SCHEMBL1016475 0.77 SMN1; SMN2 (0.45) LMNAMAPTPOLBHSD17B10ALDH1A1

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 LMNA 3453/4885MAPT 2718/4885POLB 4723/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 LMNA 3453/4885MAPT 2718/4885POLB 4723/4885

“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.