SCHEMBL5338041

SCHEMBL5338041

COCOc1cc(OC)c(OC)cc1C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
KDM4E B2RXH2 2/20 0.68
TSHR P16473 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
PRKDC P78527 2/20 0.52
MAPT P10636 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FDPS P14324 1/20 0.42
HMGCR P04035 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ERN1 O75460 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8715769 0.86 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL22231552 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL29976495 0.83 PRKDC (0.74) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL13271943 0.83 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL25692518 0.83 PRKDC (0.74) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL1853345 0.82 LMNA (0.45) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL29456596 0.82 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL333451 0.82 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1PRKDC
SCHEMBL8710876 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1PRKDC
Asaraldehyde SCHEMBL27489564 0.80 ALDH1A1 (0.95) ALDH1A1KDM4ETSHRTDP1PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828269-B1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF PI3K-ALPHA AND/OR BETA COUNCIL SCIENT IND RES (IN) 2018-05-16 EP disclosed
CN-104395325-B With the LIPHAGANE compound of boric acid as the inhibitor of PI3K-α and/or β 科学与工业研究委员会 2016-12-07 CN disclosed
US-9206201-B2 Boronic acid bearing liphagane compounds as inhibitors of P13K-α and/or β COUNSEL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-08 US disclosed
US-9206201-B2 Boronic acid bearing liphagane compounds as inhibitors of P13K-α and/or β COUNSEL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-12-08 US disclosed
CN-104395325-A Boronic acid bearing liphagane compounds as inhibitors of pi3k-alpha and/or beta COUNCIL SCIENT IND RES 2015-03-04 CN disclosed
US-20150051173-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-19 US disclosed
EP-2828269-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF PI3K-alpha AND/OR beta Council of Scientific & Industrial Research (IN) 2015-01-28 EP disclosed
WO-2013140417-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF PI3K-α AND/OR β COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-09-26 WO disclosed
US-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7262301-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2007-08-28 US disclosed
US-7105680-B1 Zinc-chelating ratiometric fluorescent probes and related methods NORTHWESTERN UNIVERSITY (US) 2006-09-12 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 (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-20150051173-A1 BORONIC ACID BEARING LIPHAGANE COMPOUNDS AS INHIBITORS OF P13K- a AND/OR B PIK3CA, PIK3C2A, PI4KA ALDH1A1 3574/4885KDM4E 985/4885TSHR 3576/4885

“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.