SCHEMBL3402806

SCHEMBL3402806

CC(C)(C)OC(=O)NCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAN2B1 O00754 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA12 O43570 3/20 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
SCHEMBL17468120 0.96 TDP1 (0.49) TDP1MEN1KMT2AGAAALDH1A1
SCHEMBL7612049 0.95 TDP1 (0.51) TDP1MEN1KMT2AGAAMAN2B1
SCHEMBL337313 0.95 TDP1 (0.51) TDP1MEN1KMT2AGAAMAN2B1
SCHEMBL22431353 0.95 TDP1 (0.51) TDP1MEN1KMT2AGAAMAN2B1
SCHEMBL17381378 0.95 TDP1 (0.51) TDP1MEN1KMT2AGAAMAN2B1
SCHEMBL3122796 0.92 ALDH1A1 (0.44) TDP1MEN1KMT2AGAAALDH1A1
SCHEMBL22402873 0.90 TDP1 (0.47) TDP1SMN1; SMN2MAN2B1MAOAMAOB
SCHEMBL3474501 0.90 TDP1 (0.47) TDP1SMN1; SMN2MAN2B1MAOAMAOB
SCHEMBL10071724 0.90 CA1 (0.42) TDP1MEN1KMT2AGAAALDH1A1
SCHEMBL25940770 0.89 TDP1 (0.42) TDP1MEN1KMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230279476-A1 NOVEL ACRYLATE DERIVATIVES AND USES THEREOF EXPANSION TECHNOLOGIES (US) 2023-09-07 US disclosed
US-20230279476-A1 NOVEL ACRYLATE DERIVATIVES AND USES THEREOF EXPANSION TECHNOLOGIES (US) 2023-09-07 US disclosed
US-11345715-B2 Biologically active molecules, conjugates thereof, and therapeutic uses REGENERON PHARMACEUTICALS, INC. (US) 2022-05-31 US disclosed
US-20200277306-A1 BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES REGENERON PHARMACEUTICALS, INC. 2020-09-03 US disclosed
US-10570151-B2 Biologically active molecules, conjugates thereof, and therapeutic uses REGENERON PHARMACEUTICALS, INC. (US) 2020-02-25 US disclosed
WO-2019032956-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed
US-20170073468-A1 METHOD FOR PREPARING FUNCTIONALIZED POLYMERS FROM POLYMER ALCOHOLS NEKTAR THERAPEUTICS 2017-03-16 US disclosed
US-20160030591-A1 BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES REGENERON PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-20160030591-A1 BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES REGENERON PHARMACEUTICALS, INC. 2016-02-04 US disclosed
WO-2014145090-A1 BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES REGENERON PHARMACEUTICALS, INC. (US) 2014-09-18 WO disclosed
US-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20140073802-A1 MALEIMIDYL POLYMER DERIVATIVES NEKTAR THERAPEUTICS (US) 2014-03-13 US disclosed
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 US disclosed
US-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 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 (9 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-20230279476-A1 NOVEL ACRYLATE DERIVATIVES AND USES THEREOF DCLRE1A, ACR, PHAX TDP1 182/4885MEN1 4026/4885KMT2A 3464/4885
US-10570151-B2 Biologically active molecules, conjugates thereof, and therapeutic uses CD47, CD44, ACP1 TDP1 1597/4885MEN1 1973/4885KMT2A 3124/4885
US-20160030591-A1 BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES CD47, CD44, ACP1 TDP1 1597/4885MEN1 1973/4885KMT2A 3124/4885
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 TDP1 4811/4885MEN1 2517/4885KMT2A 556/4885
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS TDP1 604/4885MEN1 2195/4885KMT2A 2423/4885
US-11345715-B2 Biologically active molecules, conjugates thereof, and therapeutic uses CD47, CD44, ACP1 TDP1 1597/4885MEN1 1973/4885KMT2A 3124/4885
US-20200277306-A1 BIOLOGICALLY ACTIVE MOLECULES, CONJUGATES THEREOF, AND THERAPEUTIC USES CD47, CD44, ACP1 TDP1 1597/4885MEN1 1973/4885KMT2A 3124/4885
US-20080176889-A1 9-anilinoacridine alkylating agents BCL9, MCL1, BCL9L TDP1 223/4885MEN1 1814/4885KMT2A 288/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 TDP1 4719/4885MEN1 3339/4885KMT2A 442/4885

“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.