SCHEMBL6378577

SCHEMBL6378577

CCO[C](OCC)OC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.53
TSHR P16473 3/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ESR1 P03372 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL9666128 0.85 LMNA (0.56) LMNASMN1; SMN2NPC1GAARAB9A
SCHEMBL11769775 0.85 SMN1; SMN2 (0.66) LMNASMN1; SMN2NPC1GAARAB9A
Ethyl Benzoate SCHEMBL55674 0.84 LMNA (0.70) LMNASMN1; SMN2NPC1GAARAB9A
Ethyl Benzoate SCHEMBL2762273 0.84 LMNA (0.70) LMNASMN1; SMN2NPC1GAARAB9A
Ethyl Benzoate SCHEMBL25388294 0.84 LMNA (0.70) LMNASMN1; SMN2NPC1GAARAB9A
SCHEMBL10974427 0.83 ALDH1A1 (0.57) LMNASMN1; SMN2NPC1GAARAB9A
Ethyl Benzoate SCHEMBL595705 0.82 LMNA (0.68) LMNASMN1; SMN2NPC1GAARAB9A
Ethyl Benzoate SCHEMBL28365249 0.82 LMNA (0.68) LMNASMN1; SMN2NPC1GAARAB9A
Ethyl Benzoate SCHEMBL10340677 0.82 LMNA (0.68) LMNASMN1; SMN2NPC1GAARAB9A
Ethyl Benzoate SCHEMBL9345283 0.82 LMNA (0.68) LMNASMN1; SMN2NPC1GAARAB9A

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 9 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

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 LMNA 1706/4885SMN1; SMN2 3648/4885NPC1 3494/4885
US-20020038045-A1 Hydroxamic acid derivatives TNF, HCAR2, HCAR1 LMNA 4203/4885SMN1; SMN2 2678/4885NPC1 4466/4885

“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.