SCHEMBL6375303

SCHEMBL6375303

[CH2]COCCOC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
F2 P00734 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL19970664 0.98 TDP1 (0.61) TDP1LMNAMAPK1HIF1ASLC6A2
Ethylene SCHEMBL8002940 0.89 TDP1 (0.68) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL205788 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL3870579 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL1555414 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512282 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512375 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512201 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512622 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL15512301 0.88 TDP1 (0.73) TDP1LMNAMAPK1HIF1ASLC6A2

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-20050232915-A1 Matrix metalloproteinase inhibitors in combination with hypothermia and/or radiotherapy for the treatment of cancer NAKAJIMA MOTOWO 2005-10-20 US disclosed
EP-1485131-A1 MATRIX METALLOPROTEINASE INHIBITORS IN COMBINATION WITH HYPOTHERMIA AND/OR RADIOTHERAPY FOR THE TREATMENT OF CANCER Novartis AG (CH) 2004-12-15 EP disclosed
WO-2004056353-A2 DEVICE AND METHOD FOR DELIVERING MMP INHIBITORS NOVARTIS AG (CH) 2004-07-08 WO disclosed
WO-2003075959-A1 MATRIX METALLOPROTEINASE INHIBITORS IN COMBINATION WITH HYPOTHERMIA AND/OR RADIOTHERAPY FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2003-09-18 WO disclosed
US-6500983-B2 FOR THERAPY OF DISEASES OR CONDITIONS MEDIATED BY OVER-PRODUCTION OF OR OVER-RESPONSIVENESS TO TUMOR NECROSIS FACTOR (TNF) NOVARTIS AG (CH) 2002-12-31 US disclosed
EP-0929517-B1 HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2002-06-12 EP disclosed
US-20020038045-A1 Hydroxamic acid derivatives NOVARTIS AG (CH) 2002-03-28 US disclosed
EP-0929517-A1 HYDROXAMIC ACID DERIVATIVES Novartis AG (CH) 1999-07-21 EP disclosed
WO-1998014424-A1 HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 1998-04-09 WO disclosed
EP-0315899-B1 THIEN-3-YL AZO DYES BASF Aktiengesellschaft (DE) 1993-04-07 EP disclosed
EP-0315898-B1 ISOTHIAZOLE AZO DYES BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
US-4994564-A Dyeing synthetic fibers in shades of red, yellow BASF AKTIENGESELLSCHAFT (DE) 1991-02-19 US disclosed
US-4929720-A YELLOW DYES FOR SYNTHETIC FIBERS BASF AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0315898-A2 Isothiazole azo dyes BASF Aktiengesellschaft (DE) 1989-05-17 EP disclosed
US-4107192-A Antimicrobial esters of allphatic diols THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1978-08-15 US disclosed
US-4074058-A Antimicrobial esters of aliphatic diols THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1978-02-14 US disclosed
US-4024164-A BENZOIC ACID, ANTIMICROBIAL AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1977-05-17 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 (2 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-20050232915-A1 Matrix metalloproteinase inhibitors in combination with hypothermia and/or radiotherapy for the treatment of cancer MMP3, TIMP3, MMP25 TDP1 704/4885LMNA 1706/4885MAPK1 2692/4885
US-20020038045-A1 Hydroxamic acid derivatives TNF, HCAR2, HCAR1 TDP1 1663/4885LMNA 4203/4885MAPK1 830/4885

“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.