SCHEMBL35060

SCHEMBL35060

CC(C)(C)OC(=O)NCCOCCOCCN

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 7/20 0.46
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46
IDO1 P14902 1/20 0.42
EPHX1 P07099 1/20 0.41
BCHE P06276 1/20 0.41
CNR2 P34972 1/20 0.41
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL30945310 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL9331881 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL13788602 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL2805155 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL450913 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23728804 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21113607 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22515370 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL22939675 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL30062304 1.00 TDP1 (0.49) TDP1MAOAMAOBMEN1KMT2A

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 1304 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11975072-B2 Pyropheophorbide conjugate and use thereof in the treatment of cancer and as a fluorescent marker UNIVERSITE DE LORRAINE (FR) 2024-05-07 US claimed
CN-115572320-B Prostate cancer molecular probe and preparation method and application thereof 中南大学湘雅医院 2023-09-12 CN claimed
CN-114957346-B Antibody coupling agent and preparation method and application thereof 中山大学 2023-08-25 CN claimed
CN-116396295-A Synthesis method of PLK1 degradation agent based on PROTAC 合肥工业大学 2023-07-07 CN claimed
CN-115572320-A Prostate cancer molecular probe and preparation method and application thereof 中南大学湘雅医院 2023-01-06 CN claimed
US-20220378914-A1 PYROPHEOPHORBIDE CONJUGATE AND USE THEREOF IN THE TREATMENT OF CANCER AND AS A FLUORESCENT MARKER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-12-01 US claimed
CN-114957346-A Antibody coupling agent and preparation method and application thereof 中山大学 2022-08-30 CN claimed
EP-3655407-B1 PYROPHEOPHORBID-KONJUGAT UND DESSEN VERWENDUNG ZUR BEHANDLUNG VON KREBS UND ALS FLUORESZIERENDEN MARKER. INST NAT SANTE RECH MED (FR) 2021-08-04 EP claimed
US-20190352625-A1 MUTANTS OF COCAINE ESTERASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2019-11-21 US claimed
US-10160960-B2 Mutants of cocaine esterase THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-12-25 US claimed
WO-2015021187-A1 MUTANTS OF COCAINE ESTERASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-02-12 WO claimed
WO-2014121819-A1 FOLATE FUNCTIONALIZED NANODIAMOND PARTICLES, METHOD FOR ITS PREPARATION AND THEIR USE Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2014-08-14 WO claimed
US-8735439-B2 Chlorin e6-folic acid conjugate, preparation method thereof, and a pharmaceutical composition for the treatment of cancer comprising the same DIATECH KOREA CO., LTD. (KR) 2014-05-27 US claimed
EP-2431366-A1 NEW CHLORINE E6-FOLIC ACID CONJUGATED COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR TREATMENT OF CANCER Diatech Korea Co., Ltd. (KR) 2012-03-21 EP claimed
US-20120059018-A1 NOVEL CHLORIN E6-FOLIC ACID CONJUGATE, PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER COMPRISING THE SAME DIATECH KOREA CO., LTD. (KR) 2012-03-08 US claimed
US-20100105149-A1 FLUORESCENT DYE-LABELED GLUCOSE BIOPROBE, SYNTHESIS METHOD AND USAGE THEREOF SNU R&DB FOUNDATION (KR) 2010-04-29 US claimed
WO-2008117918-A1 FLUORESCENT DYE-LABELED GLUCOSE BIOPROBE, SYNTHESIS METHOD AND USAGE THEREOF SNU R&DB FOUNDATION (KR) 2008-10-02 WO claimed
US-20030069445-A1 Biological reagents and methods for determining the mechanism in the generation of beta-amyloid peptide AUDIA JAMES E (US) 2003-04-10 US claimed
EP-1131634-A2 DETERMINING THE MECHANISM OF BETA-AMYLOID PEPTIDE GENERATION Elan Pharmaceuticals, Inc. (US) 2001-09-12 EP claimed
WO-2000019210-A2 DETERMINING THE MECHANISM OF BETA-AMYLOID PEPTIDE GENERATION ELAN PHARMACEUTICALS, INC. (US) 2000-04-06 WO claimed

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-20120059018-A1 NOVEL CHLORIN E6-FOLIC ACID CONJUGATE, PREPARATION METHOD THEREOF, AND A PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CANCER COMPRISING THE SAME FOLR1, FOLR2, DHFR TDP1 3593/4885MAOA 685/4885MAOB 602/4885
US-11975072-B2 Pyropheophorbide conjugate and use thereof in the treatment of cancer and as a fluorescent marker FOLH1, SLC46A1, PPOX TDP1 1980/4885MAOA 1549/4885MAOB 800/4885
US-20220378914-A1 PYROPHEOPHORBIDE CONJUGATE AND USE THEREOF IN THE TREATMENT OF CANCER AND AS A FLUORESCENT MARKER FOLH1, SLC46A1, PPOX TDP1 1980/4885MAOA 1549/4885MAOB 800/4885
US-20100105149-A1 FLUORESCENT DYE-LABELED GLUCOSE BIOPROBE, SYNTHESIS METHOD AND USAGE THEREOF GALE, OGA, GNE TDP1 3077/4885MAOA 1633/4885MAOB 1354/4885
US-20030069445-A1 Biological reagents and methods for determining the mechanism in the generation of beta-amyloid peptide APP, IAPP, BACE1 TDP1 910/4885MAOA 364/4885MAOB 265/4885

“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.