SCHEMBL3073309

SCHEMBL3073309

O=C1N[C@@H](c2ccco2)[C@H]1O

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
SCHEMBL3073312 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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5879929-A CONTACTING MIXTURE IN PRESENCE OF WATER AND/OR ORGANIC ALCOHOL WITH SELECTED LIPASE TO CATALYZE STEREOSELECTIVE HYDROLYSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-09 US claimed
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-1165553-B1 C10 ESTER SUBSTITUTED TAXANES AS ANTITUMOR AGENTS UNIV FLORIDA STATE RES FOUND (US) 2009-06-03 EP disclosed
US-7524869-B2 Taxanes having a C10 ester substituent FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-04-28 US disclosed
US-7524869-B2 Taxanes having a C10 ester substituent FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-04-28 US disclosed
EP-1165551-B1 C10 CARBAMOYLOXY SUBSTITUTED TAXANES AS ANTITUMOR AGENTS UNIV FLORIDA STATE RES FOUND (US) 2008-07-16 EP disclosed
EP-1183253-B1 C7 ESTER SUBSTITUTED TAXANES AS ANTITUMOR AGENTS UNIV FLORIDA STATE RES FOUND (US) 2008-05-21 EP 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
CN-1237580-A Phosphononooxymethyl ethers of taxame derivatives BRISTOL MYERS SQUIBB CO (US) 1999-12-08 CN disclosed
EP-0671399-B1 6,7-Epoxy paclitaxels BRISTOL MYERS SQUIBB CO (US) 1999-10-20 EP disclosed
US-5879929-A CONTACTING MIXTURE IN PRESENCE OF WATER AND/OR ORGANIC ALCOHOL WITH SELECTED LIPASE TO CATALYZE STEREOSELECTIVE HYDROLYSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-09 US disclosed
US-5646176-A Phosphonooxymethyl ethers of taxane derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-08 US disclosed
EP-0694539-A1 7-o-Ethers of taxane derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-01-31 EP disclosed
EP-0671399-A1 6,7-Epoxy paclitaxels BRISTOL-MYERS SQUIBB COMPANY (US) 1995-09-13 EP disclosed
US-5395850-A Antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-07 US disclosed
EP-0639577-A1 Phosphonooxymethyl or methylthiomethyl ethers of taxane derivatives as antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-02-22 EP disclosed
EP-0634492-A1 Enzymatic processes for the resolution of enantiomeric mixtures of compounds useful as intermediates in the preparation of taxanes BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-18 EP disclosed
EP-0604910-A1 Phosphonooxymethyl ethers of taxane derivatives Bristol-Myers Squibb Company (US) 1994-07-06 EP 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-20100228038-A1 PROCESSES FOR THE PRODUCTION OF POLYCYCLIC FUSED RING COMPOUNDS COASY, PARG, PIN4 ALDH1A1 4039/4885KDM4E 2362/4885HPGD 2817/4885

“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.