SCHEMBL3825313

SCHEMBL3825313

C=CCOC(=O)CCOCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 5/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
DGKA P23743 1/20 0.37
HPGD P15428 2/20 0.36
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL3430112 0.90 TSHR (0.55) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL27683153 0.87 TSHR (0.58) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL10596595 0.86 TSHR (0.73) TSHRTDP1ALDH1A1GAADGKA
SCHEMBL10749240 0.84 TSHR (0.53) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL19296598 0.83 TDP1 (0.67) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL11124203 0.83 TSHR (0.49) TSHRTDP1SMN1; SMN2PKMALDH1A1
Allyl Butanoate SCHEMBL263508 0.82
Allyl Butanoate SCHEMBL16372404 0.82 TSHR (0.71) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL12092182 0.81 TSHR (0.47) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL12092216 0.81 TSHR (0.47) TSHRTDP1SMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952147-B2 Conjugates, preparation thereof, and therapeutic use thereof SANOFI (FR) 2015-02-10 US disclosed
US-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-09-06 US disclosed
US-20090280977-A1 PROCESS FOR PREPARING CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L (IT) 2009-11-12 US disclosed
EP-1355955-B1 CATALYST FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2009-08-26 EP disclosed
EP-2051999-A1 PROCESS FOR PREPARING CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2009-04-29 EP disclosed
WO-2008019802-A1 PROCESS FOR PREPARING CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (DE) 2008-02-21 WO disclosed
US-6906154-B2 Catalyst for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A. (IT) 2005-06-14 US disclosed
EP-1355955-A1 CATALYST FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.p.A. (IT) 2003-10-29 EP disclosed
US-20030027715-A1 Catalyst for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.P.A (IT) 2003-02-06 US disclosed
EP-0790260-B1 Solid catalyst components for polymerization JAPAN POLYOLEFINS CO LTD (JP) 2002-11-06 EP disclosed
US-5476825-A Consists of magnesium, titanium and halogen compounds, an organoaluminum compound, a reaction product of organoaluminum or organoboron compound with organosilicon compound SHOWA DENKO K.K. (JP) 1995-12-19 US disclosed
EP-0383346-B1 Catalyst, process for its preparation and process for polymerization of olefins using this catalyst SHOWA DENKO KK (JP) 1995-05-03 EP disclosed
US-5407883-A Containing magnesium, titanium, aluminum and silicon compounds including polymeric aluminum and alumoxanes SHOWA DENKO K.K. (JP) 1995-04-18 US disclosed
EP-0640624-A1 Catalyst for polymerization of olefin and process for the preparation of olefin polymer SHOWA DENKO KABUSHIKI KAISHA (JP) 1995-03-01 EP disclosed
EP-0408635-B1 TRANSESTERIFICATION OF ALKOXYESTERS EASTMAN KODAK CO (US) 1994-02-23 EP disclosed
EP-0578473-A1 Catalyst for polymerization of olefin and process for producing olefin polymer SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-01-12 EP disclosed
US-5041403-A Magnesium, titanium, halogen, ester compound, and organic aluminum compound SHOWA DENKO K.K. (JP) 1991-08-20 US disclosed
US-5011977-A Transesterification of alkoxyesters EASTMAN KODAK COMPANY (US) 1991-04-30 US disclosed
EP-0383346-A2 Catalyst, process for its preparation and process for polymerization of olefins using this catalyst SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-08-22 EP disclosed
US-4898969-A Transesterification of alkoxyesters EASTMAN KODAK COMPANY (US) 1990-02-06 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 (1 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-20120225089-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF ERG28, CARS1, FOLH1 TSHR 4077/4885TDP1 3206/4885SMN1; SMN2 2521/4885

“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.