SCHEMBL6359040

SCHEMBL6359040

CCC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.56
CTNNB1 P35222 1/20 0.56
GAA P10253 1/20 0.51
MGLL Q99685 2/20 0.50
HTR2A P28223 1/20 0.49
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
ELANE P08246 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL763093 0.90 BCL9 (0.54) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL19315980 0.88 BCL9 (0.48) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL903436 0.88 BCL9 (0.52) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL6348996 0.88 BCL9 (0.56) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL31488048 0.87 BCL9 (0.51) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL6348206 0.87 BCL9 (0.51) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL2721373 0.86 BCL9 (0.50) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL3371416 0.86 BCL9 (0.50) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL1461897 0.84 ELANE (0.60) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL2802479 0.84 MGLL (0.57) BCL9CTNNB1GAAMGLLHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2025-10-14 US disclosed
US-20230097252-A1 LIGASE FUSION PROTEINS AND APPLICATION THEREOF GENEQUANTUM HEALTHCARE (SUZHOU) CO., LTD. (CN) 2023-03-30 US disclosed
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2022-07-21 US disclosed
WO-2020247736-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2020-12-10 WO disclosed
US-10815194-B2 Process for the preparation of mono-protected α,ω-diamino alkanes BYONDIS B.V. (NL) 2020-10-27 US disclosed
US-20170119896-A1 TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-6911549-B1 Method of preparing a taxol derivative SANOFI (FR) 2005-06-28 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO disclosed
EP-0674630-B1 7-HALO- AND 7$g(b),8$g(b)-METHANO-TAXOLS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UPJOHN CO (US) 2002-10-23 EP disclosed
EP-0703909-B1 DELTA 6,7 -TAXOLS ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UPJOHN CO (US) 2000-04-26 EP disclosed
EP-0982302-A2 Delta 6,7-taxols antineoplastic use and pharmaceutical compositions containing them PHARMACIA & UPJOHN COMPANY (US) 2000-03-01 EP disclosed
EP-0982301-A2 Delta 6,7-taxols antineoplastic use and pharmaceutical compositions containing them PHARMACIA & UPJOHN COMPANY (US) 2000-03-01 EP disclosed
US-5965739-A OXAZOLIDINE PROTECTED TAXOL ANALOGS OF GIVEN FORMULA, AND METHODS OF SYNTHESIS FROM AN OXAZOLIDINE FREE ACID AND A BACCATIN COMPOUND IN THE PRESENCE OF A DEHYDRATING AGENT; USEFUL INTERMEDIATES TO MAKE VARIOUS TAXOL ANALOGUES PHARMACIA & UPJOHN COMPANY (US) 1999-10-12 US disclosed
US-5556878-A Δ6,7 -taxols antineoplatic use and pharmaceutical compositions containing them THE UPJOHN COMPANY (US) 1996-09-17 US disclosed
EP-0703909-A1 $g(D)?6,7 -TAXOLS ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1996-04-03 EP disclosed
EP-0674630-A1 7-HALO- AND 7$g(b),8$g(b)-METHANO-TAXOLS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA & UPJOHN COMPANY (US) 1995-10-04 EP disclosed
WO-1994029288-A1 Δ6,7-TAXOLS ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE UPJOHN COMPANY (US) 1994-12-22 WO disclosed
WO-1994013655-A1 7-HALO- AND 7β,8β-METHANO-TAXOLS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE UPJOHN COMPANY (US) 1994-06-23 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 (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-20230097252-A1 LIGASE FUSION PROTEINS AND APPLICATION THEREOF LIG1, LIG3, STUB1 BCL9 1388/4885CTNNB1 4336/4885GAA 1069/4885
US-10815194-B2 Process for the preparation of mono-protected α,ω-diamino alkanes FCGRT, CD22, DEGS1 BCL9 2011/4885CTNNB1 1884/4885GAA 716/4885
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 BCL9 807/4885CTNNB1 1528/4885GAA 294/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 BCL9 807/4885CTNNB1 1528/4885GAA 294/4885
US-20170119896-A1 TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF MALT1, ALG1, PRMT3 BCL9 768/4885CTNNB1 4834/4885GAA 1601/4885

“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.