SCHEMBL3073312

SCHEMBL3073312

O=C1NC(c2ccco2)C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 7/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 3/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 5/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
RECQL P46063 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
BLM P54132 2/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL3073309 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL3083536 1.00 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL30658808 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL14492355 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL9489089 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL10437609 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL10437611 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL10437607 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL30658789 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL7158584 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-09-09 US disclosed
US-7667055-B2 Processes for the production of polycyclic fused ring compounds FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-02-23 US disclosed
US-7550608-B2 Processes for the preparation of docetaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-06-23 US disclosed
EP-1919926-A2 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS Florida State University Research Foundation, Inc. (US) 2008-05-14 EP disclosed
US-7358378-B2 Processes for the preparation of paclitaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-04-15 US disclosed
EP-1893594-A2 PROCESSES FOR THE PREPARATION OF PACLITAXEL Florida State University Research Foundation, Inc. (US) 2008-03-05 EP disclosed
EP-1891033-A2 PROCESSES FOR THE PREPARATION OF DOCETAXEL Florida State University Research Foundation, Inc. (US) 2008-02-27 EP disclosed
EP-1888521-A2 RESOLUTION OF ENANTIOMERIC MIXTURES OF ß-LACTAMS Florida State University Research Foundation, Inc. (US) 2008-02-20 EP disclosed
WO-2006135656-A2 PROCESSES FOR THE PREPARATION OF PACLITAXEL FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
WO-2006135692-A2 PROCESSES FOR THE PREPARATION OF DOCETAXEL FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
WO-2006135655-A2 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
WO-2006135669-A2 RESOLUTION OF ENANTIOMERIC MIXTURES OF β-LACTAMS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-21 WO disclosed
US-20060281934-A1 Processes for the production of polycyclic fused ring compounds FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-14 US disclosed
US-20060281933-A1 Processes for the preparation of paclitaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-14 US disclosed
US-20060281918-A1 Resolution of enantiomeric mixtures of beta-lactams FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-14 US disclosed
US-20060281932-A1 Processes for the preparation of docetaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2006-12-14 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 (5 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-20060281934-A1 Processes for the production of polycyclic fused ring compounds COASY, PARG, PIN4 ALDH1A1 4039/4885KDM4E 2362/4885HPGD 2817/4885
US-20060281918-A1 Resolution of enantiomeric mixtures of beta-lactams C9, PEPD, PTMA ALDH1A1 1937/4885KDM4E 3393/4885HPGD 1617/4885
US-20060281933-A1 Processes for the preparation of paclitaxel PDCD10, PDS5B, CASP10 ALDH1A1 1118/4885KDM4E 1426/4885HPGD 1967/4885
US-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS COASY, PARG, PIN4 ALDH1A1 4039/4885KDM4E 2362/4885HPGD 2817/4885
US-20060281932-A1 Processes for the preparation of docetaxel PDCD10, PDS5B, DHCR7 ALDH1A1 954/4885KDM4E 868/4885HPGD 939/4885

“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.