SCHEMBL8260949

SCHEMBL8260949

O=C(O)COc1ccc2ccccc2c1-c1c(OC/C=C/c2ccccc2)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTPN7 P35236 1/20 0.47
PAM P19021 1/20 0.44
CTSD P07339 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL2524447 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL29506888 0.85 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL22169441 0.85 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL2523778 0.83 HPGD (0.56) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL17899863 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL2521660 0.79 MAPT (0.65) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL25917160 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL12214662 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL2526976 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDTDP1PTPN7
SCHEMBL26632884 0.78 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDTDP1PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 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 (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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN ALDH1A1 4208/4885KDM4E 3395/4885HPGD 2243/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN ALDH1A1 4179/4885KDM4E 2877/4885HPGD 2568/4885

“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.