SCHEMBL14645352

SCHEMBL14645352

COc1ccc(B(O)O)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
KDM4E B2RXH2 7/20 0.53
POLB P06746 6/20 0.53
AKR1C3 P42330 4/20 0.49
AKR1C2 P52895 4/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
GAA P10253 2/20 0.46
CA12 O43570 2/20 0.46

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
SCHEMBL29951546 1.00 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL12620176 0.85 ALDH1A1 (0.58) SMN1; SMN2KDM4EPOLBALDH1A1MEN1
SCHEMBL29951633 0.85 KDM4E (0.53) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL26768714 0.84 KDM4E (0.63) SMN1; SMN2KDM4EPOLBALDH1A1MAPT
SCHEMBL29853691 0.84 KDM4E (0.63) SMN1; SMN2KDM4EPOLBALDH1A1MAPT
SCHEMBL7267474 0.82 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL29853676 0.82 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL29952914 0.81 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
SCHEMBL383820 0.80 ALDH1A1 (0.66) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2
Benzene SCHEMBL29227606 0.79 ALDH1A1 (0.63) SMN1; SMN2KDM4EPOLBAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104140387-B A kind of preparation method of N-tertbutyloxycarbonyl-azetidine aromatic ether/heteroaromatic ether compound TETRANOV PHARMACY STOCK INC. (CN) 2016-11-30 CN disclosed
US-9359311-B2 Substituted aromatic oligomers NEUROSCIOS GMBH (AT) 2016-06-07 US disclosed
EP-2817304-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BioChromix NewCo AB (SE) 2014-12-31 EP disclosed
US-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB 2014-05-15 US disclosed
WO-2013036196-A1 NOVEL THIOPHENE COMPOUNDS AND METHOD FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2013-03-14 WO disclosed
WO-2013009259-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB (SE) 2013-01-17 WO 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-20140135322-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY PRNP, TBCA, HSPA5 SMN1; SMN2 41/4885KDM4E 4549/4885POLB 1618/4885

“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.