SCHEMBL2113123

SCHEMBL2113123

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)C[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
POLA1 P09884 1/20 0.39
TYMP P19971 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAAR1 Q96RJ0 2/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
TSHR P16473 1/20 0.32
HINT1 P49773 1/20 0.31

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
SCHEMBL7534659 0.90 KDM4E (0.49) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL2113125 0.90 KDM4E (0.49) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL441420 0.88 TAS1R3 (0.44) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL8916727 0.87 POLB (0.45) TYMPTAS1R3TAS1R1TAAR1POLB
SCHEMBL9116771 0.86 KDM4E (0.42) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL10491022 0.82 TYMP (0.54) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL2115345 0.82 TAS1R3 (0.52) TYMPTAS1R3TAS1R1TAAR1ADORA3
SCHEMBL14556177 0.81 TYMP (0.38) TYMP
SCHEMBL9790905 0.81 ALDH1A1 (0.44) KDM4EPOLA1TYMPTAS1R3TAS1R1
SCHEMBL2113458 0.80 POLB (0.38) KDM4EPOLBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158770-B2 Content dependent inhibitors of cytidine deaminases and uses thereof UNIVERSITY OF ROCHESTER (US) 2012-04-17 US disclosed
US-7629447-B2 Dideoxynucleoside derivatives WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-12-08 US disclosed
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 US disclosed
US-20080064868-A1 Novel Dideoxynucleoside Derivatives WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2008-03-13 US disclosed
US-7135564-B1 Reusable solid support for oligonucleotide synthesis UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2006-11-14 US disclosed
EP-0877751-B1 LINKER ARM FOR SOLID SUPPORT OLIGONUCLEOTIDE SYNTHESIS AND PROCESS FOR PRODUCTION THEREOF UNIV TECHNOLOGIES INT (CA) 2003-10-15 EP disclosed
US-20030129593-A1 Process for producing multiple oligonucleotides on a solid support UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. 2003-07-10 US disclosed
EP-1319012-A1 PROCESS FOR PRODUCING MULTIPLE OLIGONUCLEOTIDES ON A SOLID SUPPORT University Technologies International Inc. (CA) 2003-06-18 EP disclosed
EP-0876390-B1 REUSABLE SOLID SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS, PROCESS FOR PRODUCTION THEREOF AND PROCESS FOR USE THEREOF UNIV TECHNOLOGIES INT (CA) 2002-06-12 EP disclosed
WO-2002020541-A2 PROCESS FOR PRODUCING MULTIPLE OLIGONUCLEOTIDES ON A SOLID SUPPORT UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2002-03-14 WO disclosed
US-5552535-A Multiple oligonucleotide containing oligomers and the cleanable linkers used in their preparation ZENECA LIMITED (GB) 1996-09-03 US disclosed
US-5393877-A Forming first oligonucleotide on first cleavable link attached to solid support, attaching a cleavable linker moiety, forming second oligonucleotide on the cleavable linker moiety, cleaving to give plurality of oligonucleotides ZENECA LIMITED (GB) 1995-02-28 US disclosed
EP-0633890-A1 SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS ZENECA LIMITED (GB) 1995-01-18 EP disclosed
WO-1993020091-A1 SUPPORT FOR OLIGONUCLEOTIDE SYNTHESIS ZENECA LIMITED (GB) 1993-10-14 WO disclosed
WO-1993020092-A1 SYNTHESIS OF OLIGONUCLEOTIDES ZENECA LIMITED (GB) 1993-10-14 WO disclosed
EP-0552185-A1 SYNTHESIS OF OLIGONUCLEOTIDES ZENECA LIMITED (GB) 1993-07-28 EP disclosed
WO-1992006103-A1 SYNTHESIS OF OLIGONUCLEOTIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-16 WO disclosed
EP-0202758-B1 HYBRIDIZATION METHOD AND PROBES THEREFOR Zeneca Limited (GB) 1991-09-25 EP disclosed
EP-0305201-A2 Protected biotin derivatives ZENECA LIMITED (GB) 1989-03-01 EP disclosed
EP-0202758-A1 Hybridization method and probes therefor ZENECA LIMITED (GB) 1986-11-26 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 (3 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-20030129593-A1 Process for producing multiple oligonucleotides on a solid support RNGTT, IGF2BP1, IGF2BP2 KDM4E 2730/4885POLA1 247/4885TYMP 116/4885
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof DCTD, CDA, ADA KDM4E 1115/4885POLA1 319/4885TYMP 22/4885
US-20080064868-A1 Novel Dideoxynucleoside Derivatives DNA2, DDX20, DNASE1 KDM4E 2700/4885POLA1 98/4885TYMP 251/4885

“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.